[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (E)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (E)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] (E)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-propenoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] (E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)acrylic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C21H21N3O3/c1-14-11-17(16(3)24(14)18-7-5-4-6-8-18)9-10-21(26)27-13-20(25)19(12-22)15(2)23/h4-11,19,23H,13H2,1-3H3/b10-9+,23-15?/t19-/m0/s1