7MW

methyl 4-propanoyl-1~{H}-pyrrole-2-carboxylate

Created:	2016-11-21
Last modified:	2017-04-12

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2 entries where 7MW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	5

2D diagram of 7MW

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Chemical Component Summary
Name	methyl 4-propanoyl-1~{H}-pyrrole-2-carboxylate
Systematic Name (OpenEye OEToolkits)	methyl 4-propanoyl-1~{H}-pyrrole-2-carboxylate
Formula	C₉ H₁₁ N O₃
Molecular Weight	181.189
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCC(=O)c1c[nH]c(c1)C(=O)OC
SMILES	OpenEye OEToolkits	2.0.6	CCC(=O)c1cc([nH]c1)C(=O)OC
Canonical SMILES	CACTVS	3.385	CCC(=O)c1c[nH]c(c1)C(=O)OC
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCC(=O)c1cc([nH]c1)C(=O)OC
InChI	InChI	1.03	InChI=1S/C9H11NO3/c1-3-8(11)6-4-7(10-5-6)9(12)13-2/h4-5,10H,3H2,1-2H3
InChIKey	InChI	1.03	GMDIDIYLWBUNEW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	40148016
ChEMBL	CHEMBL4171398

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