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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3C(=O)N2C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3C(=O)N2C)Br

InChI

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