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

Systemtic Name: N1'-(cyanomethyl)-5-ethyl-6-(1H-indol-3-yl)-6-nitro-cyclohexa-2,4-diene-1,1-dicarboxamide Openeye Name: N1'-(cyanomethyl)-5-ethyl-6-(1H-indol-3-yl)-6-nitro-cyclohexa-2,4-diene-1,1-dicarboxamide CAS Name: N1'-(cyanomethyl)-5-ethyl-6-(1H-indol-3-yl)-6-nitrocyclohexa-2,4-diene-1,1-dicarboxamide IUPAC Name: 1-N'-(cyanomethyl)-5-ethyl-6-(1H-indol-3-yl)-6-nitrocyclohexa-2,4-diene-1,1-dicarboxamide Traditional Name: N'-(cyanomethyl)-5-ethyl-6-(1H-indol-3-yl)-6-nitro-cyclohexa-2,4-diene-1,1-dicarboxamide Formula: C20H19N5O4 MolecularWeight: 393.39596

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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)NCC#N

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O4/c1-2-13-6-5-9-19(17(22)26,18(27)23-11-10-21)20(13,25(28)29)15-12-24-16-8-4-3-7-14(15)16/h3-9,12,24H,2,11H2,1H3,(H2,22,26)(H,23,27)