[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] (E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] (E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-2-propenoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)acrylic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C14H20ClN3O3 MolecularWeight: 313.7799

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OC(C)C(=O)N)Cl)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN3O3/c1-8(2)7-18-13(15)11(9(3)17-18)5-6-12(19)21-10(4)14(16)20/h5-6,8,10H,7H2,1-4H3,(H2,16,20)/b6-5+/t10-/m1/s1