4-[(E)-2-[3-(2-carboxyethyl)-4-oxidanylidene-quinazolin-2-yl]ethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-[3-(2-carboxyethyl)-4-oxidanylidene-quinazolin-2-yl]ethenyl]benzoic acid Openeye Name: 4-[(E)-2-[3-(2-carboxyethyl)-4-oxo-quinazolin-2-yl]vinyl]benzoic acid CAS Name: 4-[(E)-2-[3-(2-carboxyethyl)-4-oxo-2-quinazolinyl]ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-[3-(2-carboxyethyl)-4-oxoquinazolin-2-yl]ethenyl]benzoic acid Traditional Name: 4-[(E)-2-[3-(2-carboxyethyl)-4-keto-quinazolin-2-yl]vinyl]benzoic acid Formula: C20H16N2O5 MolecularWeight: 364.35144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)C=CC3=CC=C(C=C3)C(=O)O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CC=C(C=C3)C(=O)O)CCC(=O)O

InChI

InChI=1S/C20H16N2O5/c23-18(24)11-12-22-17(21-16-4-2-1-3-15(16)19(22)25)10-7-13-5-8-14(9-6-13)20(26)27/h1-10H,11-12H2,(H,23,24)(H,26,27)/b10-7+