[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C18H15BrN2O4 MolecularWeight: 403.2267

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)Br

InChI

InChI=1S/C18H15BrN2O4/c1-24-16-7-4-13(10-15(16)19)18(23)25-11-17(22)21-14-5-2-12(3-6-14)8-9-20/h2-7,10H,8,11H2,1H3,(H,21,22)