(1-methoxy-1-oxidanylidene-propan-2-yl) (E)-3-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoate

Systemtic Name: (1-methoxy-1-oxidanylidene-propan-2-yl) (E)-3-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoate Openeye Name: (2-methoxy-1-methyl-2-oxo-ethyl) (E)-3-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-cyano-2-propenoic acid (1-methoxy-1-oxopropan-2-yl) ester IUPAC Name: (1-methoxy-1-oxopropan-2-yl) (E)-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-acrylic acid (2-keto-2-methoxy-1-methyl-ethyl) ester Formula: C20H19BrN2O4 MolecularWeight: 431.27986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C=C(C#N)C(=O)OC(C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)/C=C(\C#N)/C(=O)OC(C)C(=O)OC

InChI

InChI=1S/C20H19BrN2O4/c1-12-9-15(13(2)23(12)18-7-5-17(21)6-8-18)10-16(11-22)20(25)27-14(3)19(24)26-4/h5-10,14H,1-4H3/b16-10+