3-[(3-bromophenyl)methyl]-5,7-bis(chloranyl)-4-oxidanylidene-1,2-dihydroquinazoline-2-carboxylic acid

Systemtic Name: 3-[(3-bromophenyl)methyl]-5,7-bis(chloranyl)-4-oxidanylidene-1,2-dihydroquinazoline-2-carboxylic acid Openeye Name: 3-[(3-bromophenyl)methyl]-5,7-dichloro-4-oxo-1,2-dihydroquinazoline-2-carboxylic acid CAS Name: 3-[(3-bromophenyl)methyl]-5,7-dichloro-4-oxo-1,2-dihydroquinazoline-2-carboxylic acid IUPAC Name: 3-[(3-bromophenyl)methyl]-5,7-dichloro-4-oxo-1,2-dihydroquinazoline-2-carboxylic acid Traditional Name: 3-(3-bromobenzyl)-5,7-dichloro-4-keto-1,2-dihydroquinazoline-2-carboxylic acid Formula: C16H11BrCl2N2O3 MolecularWeight: 430.08014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CN2C(NC3=CC(=CC(=C3C2=O)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)CN2C(NC3=CC(=CC(=C3C2=O)Cl)Cl)C(=O)O

InChI

InChI=1S/C16H11BrCl2N2O3/c17-9-3-1-2-8(4-9)7-21-14(16(23)24)20-12-6-10(18)5-11(19)13(12)15(21)22/h1-6,14,20H,7H2,(H,23,24)