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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) (E)-3-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoate Openeye Name: (2-amino-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 (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) (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-amino-2-keto-ethyl) ester Formula: C18H16BrN3O3 MolecularWeight: 402.24194

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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)OCC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O3/c1-11-7-13(8-14(9-20)18(24)25-10-17(21)23)12(2)22(11)16-5-3-15(19)4-6-16/h3-8H,10H2,1-2H3,(H2,21,23)/b14-8+