methyl 3-[(4-nitrophenyl)amino]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[(4-nitrophenyl)amino]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-(4-nitroanilino)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-(4-nitroanilino)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-nitroanilino)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-(4-nitroanilino)-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C16H12N4O5S MolecularWeight: 372.35528

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O5S/c1-25-15(22)9-2-7-12-13(8-9)17-16(26)19(14(12)21)18-10-3-5-11(6-4-10)20(23)24/h2-8,18H,1H3,(H,17,26)