2-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-(4-nitroanilino)-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-(4-nitroanilino)-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-keto-2-(4-nitroanilino)ethyl]thio]quinazolin-4-olate Formula: C16H11N4O4S- MolecularWeight: 355.34794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H12N4O4S/c21-14(17-10-5-7-11(8-6-10)20(23)24)9-25-16-18-13-4-2-1-3-12(13)15(22)19-16/h1-8H,9H2,(H,17,21)(H,18,19,22)/p-1