3-(4-bromophenyl)-2-methyl-4-oxidanylidene-quinazoline-7-carboxylic acid hydrate

Systemtic Name: 3-(4-bromophenyl)-2-methyl-4-oxidanylidene-quinazoline-7-carboxylic acid hydrate Openeye Name: 3-(4-bromophenyl)-2-methyl-4-oxo-quinazoline-7-carboxylic acid hydrate CAS Name: 3-(4-bromophenyl)-2-methyl-4-oxo-7-quinazolinecarboxylic acid hydrate IUPAC Name: 3-(4-bromophenyl)-2-methyl-4-oxoquinazoline-7-carboxylic acid hydrate Traditional Name: 3-(4-bromophenyl)-4-keto-2-methyl-quinazoline-7-carboxylic acid hydrate Formula: C16H13BrN2O4 MolecularWeight: 377.18942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(=O)O)C(=O)N1C3=CC=C(C=C3)Br.O

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(=O)O)C(=O)N1C3=CC=C(C=C3)Br.O

InChI

InChI=1S/C16H11BrN2O3.H2O/c1-9-18-14-8-10(16(21)22)2-7-13(14)15(20)19(9)12-5-3-11(17)4-6-12;/h2-8H,1H3,(H,21,22);1H2