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

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-propenoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acrylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C19H17ClN4O3 MolecularWeight: 384.81628

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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)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN4O3/c1-12(22)16(10-21)17(25)11-27-18(26)9-8-15-13(2)23-24(19(15)20)14-6-4-3-5-7-14/h3-9,16,22H,11H2,1-2H3/b9-8+,22-12?/t16-/m1/s1