methyl 3-[[(4-nitrophenyl)amino]diazenyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[(4-nitrophenyl)amino]diazenyl]thiophene-2-carboxylate Openeye Name: methyl 3-(4-nitroanilino)azothiophene-2-carboxylate CAS Name: 3-(4-nitroanilino)azo-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-nitroanilino)diazenyl]thiophene-2-carboxylate Traditional Name: 3-(4-nitroanilino)azothiophene-2-carboxylic acid methyl ester Formula: C12H10N4O4S MolecularWeight: 306.2972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)N=NNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CS1)N=NNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O4S/c1-20-12(17)11-10(6-7-21-11)14-15-13-8-2-4-9(5-3-8)16(18)19/h2-7H,1H3,(H,13,14)