(6Z)-6-(azanylmethylidene)cyclohexa-2,4-dien-1-one; N-methyl-2,4-dinitro-aniline

Systemtic Name: (6Z)-6-(azanylmethylidene)cyclohexa-2,4-dien-1-one; N-methyl-2,4-dinitro-aniline Openeye Name: (6Z)-6-(aminomethylene)cyclohexa-2,4-dien-1-one; N-methyl-2,4-dinitro-aniline CAS Name: (6Z)-6-(aminomethylidene)-1-cyclohexa-2,4-dienone; N-methyl-2,4-dinitroaniline IUPAC Name: (6Z)-6-(aminomethylidene)cyclohexa-2,4-dien-1-one; N-methyl-2,4-dinitroaniline Traditional Name: (6Z)-6-(aminomethylene)cyclohexa-2,4-dien-1-one; (2,4-dinitrophenyl)-methyl-amine Formula: C14H14N4O5 MolecularWeight: 318.28476

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-].C1=CC(=CN)C(=O)C=C1

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-].C1=C/C(=C/N)/C(=O)C=C1

InChI

InChI=1S/C7H7N3O4.C7H7NO/c1-8-6-3-2-5(9(11)12)4-7(6)10(13)14;8-5-6-3-1-2-4-7(6)9/h2-4,8H,1H3;1-5H,8H2/b;6-5-