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

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 3-(4-oxoquinazolin-3-yl)propanoate CAS Name: 3-(4-oxo-3-quinazolinyl)propanoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-ketoquinazolin-3-yl)propionic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C20H18BrN3O4 MolecularWeight: 444.27862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCN2C=NC3=CC=CC=C3C2=O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCN2C=NC3=CC=CC=C3C2=O)Br

InChI

InChI=1S/C20H18BrN3O4/c1-13-10-14(6-7-16(13)21)23-18(25)11-28-19(26)8-9-24-12-22-17-5-3-2-4-15(17)20(24)27/h2-7,10,12H,8-9,11H2,1H3,(H,23,25)