4-methyl-2-nitro-6-[(E)-[4-oxidanylidene-2-[(1-phenylethenylamino)oxymethyl]quinazolin-3-yl]iminomethyl]phenolate

Systemtic Name: 4-methyl-2-nitro-6-[(E)-[4-oxidanylidene-2-[(1-phenylethenylamino)oxymethyl]quinazolin-3-yl]iminomethyl]phenolate Openeye Name: 4-methyl-2-nitro-6-[(E)-[4-oxo-2-[(1-phenylvinylamino)oxymethyl]quinazolin-3-yl]iminomethyl]phenolate CAS Name: 4-methyl-2-nitro-6-[(E)-[4-oxo-2-[(1-phenylethenylamino)oxymethyl]-3-quinazolinyl]iminomethyl]phenolate IUPAC Name: 4-methyl-2-nitro-6-[(E)-[4-oxo-2-[(1-phenylethenylamino)oxymethyl]quinazolin-3-yl]iminomethyl]phenolate Traditional Name: 2-[(E)-[4-keto-2-[(1-phenylvinylamino)oxymethyl]quinazolin-3-yl]iminomethyl]-4-methyl-6-nitro-phenolate Formula: C25H20N5O5- MolecularWeight: 470.4568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=NN2C(=NC3=CC=CC=C3C2=O)CONC(=C)C4=CC=CC=C4)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)/C=N/N2C(=NC3=CC=CC=C3C2=O)CONC(=C)C4=CC=CC=C4)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H21N5O5/c1-16-12-19(24(31)22(13-16)30(33)34)14-26-29-23(27-21-11-7-6-10-20(21)25(29)32)15-35-28-17(2)18-8-4-3-5-9-18/h3-14,28,31H,2,15H2,1H3/p-1/b26-14+