4-[2-[(E)-2-(3-methoxy-5-nitro-4-oxidanidyl-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoate

Systemtic Name: 4-[2-[(E)-2-(3-methoxy-5-nitro-4-oxidanidyl-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoate Openeye Name: 4-[2-[(E)-2-(3-methoxy-5-nitro-4-oxido-phenyl)vinyl]-4-oxo-quinazolin-3-yl]benzoate CAS Name: 4-[2-[(E)-2-(3-methoxy-5-nitro-4-oxidophenyl)ethenyl]-4-oxo-3-quinazolinyl]benzoate IUPAC Name: 4-[2-[(E)-2-(3-methoxy-5-nitro-4-oxidophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoate Traditional Name: 4-[4-keto-2-[(E)-2-(3-methoxy-5-nitro-4-oxido-phenyl)vinyl]quinazolin-3-yl]benzoate Formula: C24H15N3O7-2 MolecularWeight: 457.3918

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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=C(C=C4)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H17N3O7/c1-34-20-13-14(12-19(22(20)28)27(32)33)6-11-21-25-18-5-3-2-4-17(18)23(29)26(21)16-9-7-15(8-10-16)24(30)31/h2-13,28H,1H3,(H,30,31)/p-2/b11-6+