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

Systemtic Name: 4-[2-[(E)-2-(4-ethyl-3-nitro-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 4-[2-[(E)-2-(4-ethyl-3-nitro-phenyl)vinyl]-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 4-[2-[(E)-2-(4-ethyl-3-nitrophenyl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 4-[2-[(E)-2-(4-ethyl-3-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 4-[2-[(E)-2-(4-ethyl-3-nitro-phenyl)vinyl]-4-keto-quinazolin-3-yl]benzoic acid Formula: C25H19N3O5 MolecularWeight: 441.43546

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C25H19N3O5/c1-2-17-9-7-16(15-22(17)28(32)33)8-14-23-26-21-6-4-3-5-20(21)24(29)27(23)19-12-10-18(11-13-19)25(30)31/h3-15H,2H2,1H3,(H,30,31)/b14-8+