I62

~{N}-[(~{E})-3-(diethylamino)prop-2-enyl]-4-methyl-3-nitro-benzamide

Created:2022-02-12
Last modified:  2022-08-22

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Chemical Details

Formal Charge1
Atom Count43
Chiral Atom Count0
Bond Count43
Aromatic Bond Count6
2D diagram of I62

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Chemical Component Summary

Name~{N}-[(~{E})-3-(diethylamino)prop-2-enyl]-4-methyl-3-nitro-benzamide
Systematic Name (OpenEye OEToolkits)[5-[[(~{E})-3-(diethylamino)prop-2-enyl]carbamoyl]-2-methyl-phenyl]-oxidanyl-oxidanylidene-azanium
FormulaC15 H22 N3 O3
Molecular Weight292.353
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CCN(CC)C=CCNC(=O)c1ccc(C)c(c1)[N+](O)=O
SMILESOpenEye OEToolkits2.0.7CCN(CC)C=CCNC(=O)c1ccc(c(c1)[N+](=O)O)C
Canonical SMILESCACTVS3.385 CCN(CC)/C=C/CNC(=O)c1ccc(C)c(c1)[N+](O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 CCN(CC)/C=C/CNC(=O)c1ccc(c(c1)[N+](=O)O)C
InChIInChI1.06 InChI=1S/C15H21N3O3/c1-4-17(5-2)10-6-9-16-15(19)13-8-7-12(3)14(11-13)18(20)21/h6-8,10-11H,4-5,9H2,1-3H3,(H-,16,19,20,21)/p+1/b10-6+
InChIKeyInChI1.06 GTWFMEPPTBDZDY-UXBLZVDNSA-O