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

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] (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 [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] (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 [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C16H16ClN3O3 MolecularWeight: 333.76954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OC(C)C(=O)N)Cl)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O3/c1-10-13(8-9-14(21)23-11(2)16(18)22)15(17)20(19-10)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H2,18,22)/b9-8+/t11-/m1/s1