(2-oxidanylidene-2-phenylazanyl-ethyl) (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: (2-anilino-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 (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) (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 (2-anilino-2-keto-ethyl) ester Formula: C21H18ClN3O3 MolecularWeight: 395.83892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC(=O)NC2=CC=CC=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC(=O)NC2=CC=CC=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H18ClN3O3/c1-15-18(21(22)25(24-15)17-10-6-3-7-11-17)12-13-20(27)28-14-19(26)23-16-8-4-2-5-9-16/h2-13H,14H2,1H3,(H,23,26)/b13-12+