(phenylmethyl) 3-[(4-bromanyl-2-methyl-phenyl)amino]-3-oxidanylidene-propanoate

Systemtic Name: (phenylmethyl) 3-[(4-bromanyl-2-methyl-phenyl)amino]-3-oxidanylidene-propanoate Openeye Name: benzyl 3-(4-bromo-2-methyl-anilino)-3-oxo-propanoate CAS Name: 3-(4-bromo-2-methylanilino)-3-oxopropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(4-bromo-2-methylanilino)-3-oxopropanoate Traditional Name: 3-(4-bromo-2-methyl-anilino)-3-keto-propionic acid benzyl ester Formula: C17H16BrNO3 MolecularWeight: 362.21784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H16BrNO3/c1-12-9-14(18)7-8-15(12)19-16(20)10-17(21)22-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,20)