(1-azanyl-1-oxidanylidene-propan-2-yl) (E)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) (E)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) (E)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) (E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C21H18ClN3O3 MolecularWeight: 395.83892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C=CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N)OC(=O)/C=C/C1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H18ClN3O3/c1-14(21(23)27)28-19(26)12-9-16-13-25(18-5-3-2-4-6-18)24-20(16)15-7-10-17(22)11-8-15/h2-14H,1H3,(H2,23,27)/b12-9+