N1'-(1-cyanoethyl)-5-ethyl-6-(4-hydroxyphenyl)-6-nitro-cyclohexa-2,4-diene-1,1-dicarboxamide

Systemtic Name: N1'-(1-cyanoethyl)-5-ethyl-6-(4-hydroxyphenyl)-6-nitro-cyclohexa-2,4-diene-1,1-dicarboxamide Openeye Name: N1'-(1-cyanoethyl)-5-ethyl-6-(4-hydroxyphenyl)-6-nitro-cyclohexa-2,4-diene-1,1-dicarboxamide CAS Name: N1'-(1-cyanoethyl)-5-ethyl-6-(4-hydroxyphenyl)-6-nitrocyclohexa-2,4-diene-1,1-dicarboxamide IUPAC Name: 1-N'-(1-cyanoethyl)-5-ethyl-6-(4-hydroxyphenyl)-6-nitrocyclohexa-2,4-diene-1,1-dicarboxamide Traditional Name: N'-(1-cyanoethyl)-5-ethyl-6-(4-hydroxyphenyl)-6-nitro-cyclohexa-2,4-diene-1,1-dicarboxamide Formula: C19H20N4O5 MolecularWeight: 384.3859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O5/c1-3-13-5-4-10-18(16(21)25,17(26)22-12(2)11-20)19(13,23(27)28)14-6-8-15(24)9-7-14/h4-10,12,24H,3H2,1-2H3,(H2,21,25)(H,22,26)