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

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-propenoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=CC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C/C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C18H21N3O3/c1-11-8-14(13(3)21(11)15-5-6-15)4-7-18(23)24-10-17(22)16(9-19)12(2)20/h4,7-8,15-16,20H,5-6,10H2,1-3H3/b7-4+,20-12?/t16-/m0/s1