2-[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-keto-2-(2-methoxy-4-nitro-anilino)ethyl]thio]quinazolin-4-olate Formula: C17H13N4O5S- MolecularWeight: 385.37392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C17H14N4O5S/c1-26-14-8-10(21(24)25)6-7-13(14)18-15(22)9-27-17-19-12-5-3-2-4-11(12)16(23)20-17/h2-8H,9H2,1H3,(H,18,22)(H,19,20,23)/p-1