2-methoxy-6-nitro-4-[(E)-2-(4-oxidanylidene-1H-quinazolin-2-yl)ethenyl]phenolate

Systemtic Name: 2-methoxy-6-nitro-4-[(E)-2-(4-oxidanylidene-1H-quinazolin-2-yl)ethenyl]phenolate Openeye Name: 2-methoxy-6-nitro-4-[(E)-2-(4-oxo-1H-quinazolin-2-yl)vinyl]phenolate CAS Name: 2-methoxy-6-nitro-4-[(E)-2-(4-oxo-1H-quinazolin-2-yl)ethenyl]phenolate IUPAC Name: 2-methoxy-6-nitro-4-[(E)-2-(4-oxo-1H-quinazolin-2-yl)ethenyl]phenolate Traditional Name: 4-[(E)-2-(4-keto-1H-quinazolin-2-yl)vinyl]-2-methoxy-6-nitro-phenolate Formula: C17H12N3O5- MolecularWeight: 338.29428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C17H13N3O5/c1-25-14-9-10(8-13(16(14)21)20(23)24)6-7-15-18-12-5-3-2-4-11(12)17(22)19-15/h2-9,21H,1H3,(H,18,19,22)/p-1/b7-6+