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

Systemtic Name: 4-[(E)-2-cyano-2-(4-oxidanylidene-1H-quinazolin-2-yl)ethenyl]-2-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-2-(4-oxo-1H-quinazolin-2-yl)vinyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-cyano-2-(4-oxo-1H-quinazolin-2-yl)ethenyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-2-(4-oxo-1H-quinazolin-2-yl)ethenyl]-2-nitrophenolate Traditional Name: 4-[(E)-2-cyano-2-(4-keto-1H-quinazolin-2-yl)vinyl]-2-nitro-phenolate Formula: C17H9N4O4- MolecularWeight: 333.27776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)/C(=C/C3=CC(=C(C=C3)[O-])[N+](=O)[O-])/C#N

InChI

InChI=1S/C17H10N4O4/c18-9-11(7-10-5-6-15(22)14(8-10)21(24)25)16-19-13-4-2-1-3-12(13)17(23)20-16/h1-8,22H,(H,19,20,23)/p-1/b11-7+