5,7-bis(chloranyl)-4-oxidanylidene-3-(3-phenylmethoxyphenyl)-1,2-dihydroquinazoline-2-carboxylic acid

Systemtic Name: 5,7-bis(chloranyl)-4-oxidanylidene-3-(3-phenylmethoxyphenyl)-1,2-dihydroquinazoline-2-carboxylic acid Openeye Name: 3-(3-benzyloxyphenyl)-5,7-dichloro-4-oxo-1,2-dihydroquinazoline-2-carboxylic acid CAS Name: 5,7-dichloro-4-oxo-3-(3-phenylmethoxyphenyl)-1,2-dihydroquinazoline-2-carboxylic acid IUPAC Name: 5,7-dichloro-4-oxo-3-(3-phenylmethoxyphenyl)-1,2-dihydroquinazoline-2-carboxylic acid Traditional Name: 3-(3-benzoxyphenyl)-5,7-dichloro-4-keto-1,2-dihydroquinazoline-2-carboxylic acid Formula: C22H16Cl2N2O4 MolecularWeight: 443.27944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)N3C(NC4=CC(=CC(=C4C3=O)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)N3C(NC4=CC(=CC(=C4C3=O)Cl)Cl)C(=O)O

InChI

InChI=1S/C22H16Cl2N2O4/c23-14-9-17(24)19-18(10-14)25-20(22(28)29)26(21(19)27)15-7-4-8-16(11-15)30-12-13-5-2-1-3-6-13/h1-11,20,25H,12H2,(H,28,29)