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

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) (E)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) (E)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(4-methylphenyl)-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-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acrylic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OC(C)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)OC(C)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3/c1-15-8-10-17(11-9-15)21-18(12-13-20(26)28-16(2)22(23)27)14-25(24-21)19-6-4-3-5-7-19/h3-14,16H,1-2H3,(H2,23,27)/b13-12+