methyl 2-[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[3-(6-bromo-4-oxo-quinazolin-3-yl)propanoylamino]-4,5-dimethoxy-benzoate CAS Name: 2-[[3-(6-bromo-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoylamino]-4,5-dimethoxybenzoate Traditional Name: 2-[3-(6-bromo-4-keto-quinazolin-3-yl)propanoylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H20BrN3O6 MolecularWeight: 490.304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br)OC

InChI

InChI=1S/C21H20BrN3O6/c1-29-17-9-14(21(28)31-3)16(10-18(17)30-2)24-19(26)6-7-25-11-23-15-5-4-12(22)8-13(15)20(25)27/h4-5,8-11H,6-7H2,1-3H3,(H,24,26)