ethyl (E)-3-[2-bromanyl-3-oxidanylidene-3-phenyl-2-(phenylcarbamoyl)propoxy]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[2-bromanyl-3-oxidanylidene-3-phenyl-2-(phenylcarbamoyl)propoxy]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-(3-anilino-2-benzoyl-2-bromo-3-oxo-propoxy)-2-cyano-prop-2-enoate CAS Name: (E)-3-[2-[anilino(oxo)methyl]-2-bromo-3-oxo-3-phenylpropoxy]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(3-anilino-2-benzoyl-2-bromo-3-oxopropoxy)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(3-anilino-2-benzoyl-2-bromo-3-keto-propoxy)-2-cyano-acrylic acid ethyl ester Formula: C22H19BrN2O5 MolecularWeight: 471.30066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=COCC(C(=O)C1=CC=CC=C1)(C(=O)NC2=CC=CC=C2)Br)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrN2O5/c1-2-30-20(27)17(13-24)14-29-15-22(23,19(26)16-9-5-3-6-10-16)21(28)25-18-11-7-4-8-12-18/h3-12,14H,2,15H2,1H3,(H,25,28)/b17-14+