2-methoxy-6-nitro-4-[(E)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)ethenyl]phenolate

Systemtic Name: 2-methoxy-6-nitro-4-[(E)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)ethenyl]phenolate Openeye Name: 2-methoxy-6-nitro-4-[(E)-2-(4-oxo-3-phenyl-quinazolin-2-yl)vinyl]phenolate CAS Name: 2-methoxy-6-nitro-4-[(E)-2-(4-oxo-3-phenyl-2-quinazolinyl)ethenyl]phenolate IUPAC Name: 2-methoxy-6-nitro-4-[(E)-2-(4-oxo-3-phenylquinazolin-2-yl)ethenyl]phenolate Traditional Name: 4-[(E)-2-(4-keto-3-phenyl-quinazolin-2-yl)vinyl]-2-methoxy-6-nitro-phenolate Formula: C23H16N3O5- MolecularWeight: 414.39024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C23H17N3O5/c1-31-20-14-15(13-19(22(20)27)26(29)30)11-12-21-24-18-10-6-5-9-17(18)23(28)25(21)16-7-3-2-4-8-16/h2-14,27H,1H3/p-1/b12-11+