[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acrylic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC(=O)C(C#N)C(=N)C)Cl)CC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC(=O)[C@@H](C#N)C(=N)C)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C20H19ClN4O3/c1-13(23)17(10-22)18(26)12-28-19(27)9-8-16-14(2)24-25(20(16)21)11-15-6-4-3-5-7-15/h3-9,17,23H,11-12H2,1-2H3/b9-8+,23-13?/t17-/m0/s1