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

Systemtic Name: 4-[2-[(E)-2-(4-methyl-3-nitro-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 4-[2-[(E)-2-(4-methyl-3-nitro-phenyl)vinyl]-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 4-[2-[(E)-2-(4-methyl-3-nitrophenyl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 4-[2-[(E)-2-(4-methyl-3-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 4-[4-keto-2-[(E)-2-(4-methyl-3-nitro-phenyl)vinyl]quinazolin-3-yl]benzoic acid Formula: C24H17N3O5 MolecularWeight: 427.40888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C24H17N3O5/c1-15-6-7-16(14-21(15)27(31)32)8-13-22-25-20-5-3-2-4-19(20)23(28)26(22)18-11-9-17(10-12-18)24(29)30/h2-14H,1H3,(H,29,30)/b13-8+