N1'-(1-cyanoethyl)-5-ethyl-6-(1H-indol-3-yl)-6-nitro-cyclohexa-2,4-diene-1,1-dicarboxamide

Systemtic Name: N1'-(1-cyanoethyl)-5-ethyl-6-(1H-indol-3-yl)-6-nitro-cyclohexa-2,4-diene-1,1-dicarboxamide Openeye Name: N1'-(1-cyanoethyl)-5-ethyl-6-(1H-indol-3-yl)-6-nitro-cyclohexa-2,4-diene-1,1-dicarboxamide CAS Name: N1'-(1-cyanoethyl)-5-ethyl-6-(1H-indol-3-yl)-6-nitrocyclohexa-2,4-diene-1,1-dicarboxamide IUPAC Name: 1-N'-(1-cyanoethyl)-5-ethyl-6-(1H-indol-3-yl)-6-nitrocyclohexa-2,4-diene-1,1-dicarboxamide Traditional Name: N'-(1-cyanoethyl)-5-ethyl-6-(1H-indol-3-yl)-6-nitro-cyclohexa-2,4-diene-1,1-dicarboxamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(C1(C2=CNC3=CC=CC=C32)[N+](=O)[O-])(C(=O)N)C(=O)NC(C)C#N

Isomeric SMILES

CCC1=CC=CC(C1(C2=CNC3=CC=CC=C32)[N+](=O)[O-])(C(=O)N)C(=O)NC(C)C#N

InChI

InChI=1S/C21H21N5O4/c1-3-14-7-6-10-20(18(23)27,19(28)25-13(2)11-22)21(14,26(29)30)16-12-24-17-9-5-4-8-15(16)17/h4-10,12-13,24H,3H2,1-2H3,(H2,23,27)(H,25,28)