2-methoxy-6-nitro-4-[(Z)-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]phenolate

Systemtic Name: 2-methoxy-6-nitro-4-[(Z)-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]phenolate Openeye Name: 2-methoxy-6-nitro-4-[(Z)-(4-oxo-2-thioxo-1H-quinazolin-3-yl)iminomethyl]phenolate CAS Name: 2-methoxy-6-nitro-4-[(Z)-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]phenolate IUPAC Name: 2-methoxy-6-nitro-4-[(Z)-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]phenolate Traditional Name: 4-[(Z)-(4-keto-2-thioxo-1H-quinazolin-3-yl)iminomethyl]-2-methoxy-6-nitro-phenolate Formula: C16H11N4O5S- MolecularWeight: 371.34734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=NN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=N\N2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C16H12N4O5S/c1-25-13-7-9(6-12(14(13)21)20(23)24)8-17-19-15(22)10-4-2-3-5-11(10)18-16(19)26/h2-8,21H,1H3,(H,18,26)/p-1/b17-8-