methyl 2-[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]benzoate

Systemtic Name: methyl 2-[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]benzoate Openeye Name: methyl 2-[3-(6-bromo-4-oxo-quinazolin-3-yl)propanoylamino]benzoate CAS Name: 2-[[3-(6-bromo-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoylamino]benzoate Traditional Name: 2-[3-(6-bromo-4-keto-quinazolin-3-yl)propanoylamino]benzoic acid methyl ester Formula: C19H16BrN3O4 MolecularWeight: 430.25204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C19H16BrN3O4/c1-27-19(26)13-4-2-3-5-16(13)22-17(24)8-9-23-11-21-15-7-6-12(20)10-14(15)18(23)25/h2-7,10-11H,8-9H2,1H3,(H,22,24)