[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 3-(1-methyl-4-oxo-quinazolin-2-yl)propanoate CAS Name: 3-(1-methyl-4-oxo-2-quinazolinyl)propanoic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 3-(1-methyl-4-oxoquinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1-methyl-quinazolin-2-yl)propionic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C21H20BrN3O4 MolecularWeight: 458.3052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2C)Br

InChI

InChI=1S/C21H20BrN3O4/c1-13-7-8-16(15(22)11-13)23-19(26)12-29-20(27)10-9-18-24-21(28)14-5-3-4-6-17(14)25(18)2/h3-8,11H,9-10,12H2,1-2H3,(H,23,26)