2-[(E)-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-4-methoxy-6-nitro-phenolate

Systemtic Name: 2-[(E)-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-4-methoxy-6-nitro-phenolate Openeye Name: 2-[(E)-(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-4-methoxy-6-nitro-phenolate CAS Name: 2-[(E)-(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-4-methoxy-6-nitrophenolate IUPAC Name: 2-[(E)-(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-4-methoxy-6-nitrophenolate Traditional Name: 2-[(E)-(2,4-diketo-1H-quinazolin-3-yl)iminomethyl]-4-methoxy-6-nitro-phenolate Formula: C16H11N4O6- MolecularWeight: 355.28174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O6/c1-26-10-6-9(14(21)13(7-10)20(24)25)8-17-19-15(22)11-4-2-3-5-12(11)18-16(19)23/h2-8,21H,1H3,(H,18,23)/p-1/b17-8+