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

Systemtic Name: prop-2-ynyl 3-[(4-bromanyl-2-methyl-phenyl)amino]-3-oxidanylidene-propanoate Openeye Name: prop-2-ynyl 3-(4-bromo-2-methyl-anilino)-3-oxo-propanoate CAS Name: 3-(4-bromo-2-methylanilino)-3-oxopropanoic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 3-(4-bromo-2-methylanilino)-3-oxopropanoate Traditional Name: 3-(4-bromo-2-methyl-anilino)-3-keto-propionic acid propargyl ester Formula: C13H12BrNO3 MolecularWeight: 310.14328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CC(=O)OCC#C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CC(=O)OCC#C

InChI

InChI=1S/C13H12BrNO3/c1-3-6-18-13(17)8-12(16)15-11-5-4-10(14)7-9(11)2/h1,4-5,7H,6,8H2,2H3,(H,15,16)