4-[2-[(E)-2-(4,5-dimethoxy-2-nitro-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid

Systemtic Name: 4-[2-[(E)-2-(4,5-dimethoxy-2-nitro-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 4-[2-[(E)-2-(4,5-dimethoxy-2-nitro-phenyl)vinyl]-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 4-[2-[(E)-2-(4,5-dimethoxy-2-nitrophenyl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 4-[2-[(E)-2-(4,5-dimethoxy-2-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 4-[2-[(E)-2-(4,5-dimethoxy-2-nitro-phenyl)vinyl]-4-keto-quinazolin-3-yl]benzoic acid Formula: C25H19N3O7 MolecularWeight: 473.43426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19N3O7/c1-34-21-13-16(20(28(32)33)14-22(21)35-2)9-12-23-26-19-6-4-3-5-18(19)24(29)27(23)17-10-7-15(8-11-17)25(30)31/h3-14H,1-2H3,(H,30,31)/b12-9+