(6Z)-6-(azanylmethylidene)-4-nitro-cyclohexa-2,4-dien-1-one; N,4-dimethylbenzamide

Systemtic Name: (6Z)-6-(azanylmethylidene)-4-nitro-cyclohexa-2,4-dien-1-one; N,4-dimethylbenzamide Openeye Name: (6Z)-6-(aminomethylene)-4-nitro-cyclohexa-2,4-dien-1-one; N,4-dimethylbenzamide CAS Name: (6Z)-6-(aminomethylidene)-4-nitro-1-cyclohexa-2,4-dienone; N,4-dimethylbenzamide IUPAC Name: (6Z)-6-(aminomethylidene)-4-nitrocyclohexa-2,4-dien-1-one; N,4-dimethylbenzamide Traditional Name: (6Z)-6-(aminomethylene)-4-nitro-cyclohexa-2,4-dien-1-one; N,4-dimethylbenzamide Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC.C1=CC(=O)C(=CN)C=C1[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC.C1=CC(=O)/C(=C\N)/C=C1[N+](=O)[O-]

InChI

InChI=1S/C9H11NO.C7H6N2O3/c1-7-3-5-8(6-4-7)9(11)10-2;8-4-5-3-6(9(11)12)1-2-7(5)10/h3-6H,1-2H3,(H,10,11);1-4H,8H2/b;5-4-