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

Systemtic Name: methyl 3-[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[3-(6-bromo-4-oxo-quinazolin-3-yl)propanoylamino]-4-methyl-benzoate CAS Name: 3-[[3-(6-bromo-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoylamino]-4-methylbenzoate Traditional Name: 3-[3-(6-bromo-4-keto-quinazolin-3-yl)propanoylamino]-4-methyl-benzoic acid methyl ester Formula: C20H18BrN3O4 MolecularWeight: 444.27862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C20H18BrN3O4/c1-12-3-4-13(20(27)28-2)9-17(12)23-18(25)7-8-24-11-22-16-6-5-14(21)10-15(16)19(24)26/h3-6,9-11H,7-8H2,1-2H3,(H,23,25)