2-[(E)-N-[(2,4-dinitrophenyl)amino]-C-methyl-carbonimidoyl]benzoic acid

Systemtic Name: 2-[(E)-N-[(2,4-dinitrophenyl)amino]-C-methyl-carbonimidoyl]benzoic acid Openeye Name: 2-[(E)-N-(2,4-dinitroanilino)-C-methyl-carbonimidoyl]benzoic acid CAS Name: 2-[(1E)-1-[(2,4-dinitrophenyl)hydrazinylidene]ethyl]benzoic acid IUPAC Name: 2-[(E)-N-(2,4-dinitroanilino)-C-methylcarbonimidoyl]benzoic acid Traditional Name: 2-[(E)-N-(2,4-dinitroanilino)-C-methyl-carbonimidoyl]benzoic acid Formula: C15H12N4O6 MolecularWeight: 344.27898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CC=CC=C2C(=O)O

Isomeric SMILES

C/C(=N\NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H12N4O6/c1-9(11-4-2-3-5-12(11)15(20)21)16-17-13-7-6-10(18(22)23)8-14(13)19(24)25/h2-8,17H,1H3,(H,20,21)/b16-9+