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

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] (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 [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] (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 [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C17H18ClN3O3 MolecularWeight: 347.79612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O3/c1-11-14(8-9-15(22)24-12(2)17(19)23)16(18)21(20-11)10-13-6-4-3-5-7-13/h3-9,12H,10H2,1-2H3,(H2,19,23)/b9-8+/t12-/m1/s1