(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-bromanylbenzoate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-bromanylbenzoate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C17H13BrN2O3 MolecularWeight: 373.20072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H13BrN2O3/c1-10-3-2-4-13-15(10)19-14(20-16(13)21)9-23-17(22)11-5-7-12(18)8-6-11/h2-8H,9H2,1H3,(H,19,20,21)