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

Systemtic Name: 5-[(E)-N-[(2,4-dinitrophenyl)amino]-C-methyl-carbonimidoyl]thiophene-2-carboxylic acid Openeye Name: 5-[(E)-N-(2,4-dinitroanilino)-C-methyl-carbonimidoyl]thiophene-2-carboxylic acid CAS Name: 5-[(1E)-1-[(2,4-dinitrophenyl)hydrazinylidene]ethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(E)-N-(2,4-dinitroanilino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid Traditional Name: 5-[(E)-N-(2,4-dinitroanilino)-C-methyl-carbonimidoyl]-2-thenoic acid Formula: C13H10N4O6S MolecularWeight: 350.3067

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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=C(S2)C(=O)O

Isomeric SMILES

C/C(=N\NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C2=CC=C(S2)C(=O)O

InChI

InChI=1S/C13H10N4O6S/c1-7(11-4-5-12(24-11)13(18)19)14-15-9-3-2-8(16(20)21)6-10(9)17(22)23/h2-6,15H,1H3,(H,18,19)/b14-7+