[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(2-methylanilino)-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-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-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-keto-2-(o-toluidino)ethyl] ester Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC(=O)C=CC2=C(N(N=C2C)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC(=O)/C=C/C2=C(N(N=C2C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C22H20ClN3O3/c1-15-8-6-7-11-19(15)24-20(27)14-29-21(28)13-12-18-16(2)25-26(22(18)23)17-9-4-3-5-10-17/h3-13H,14H2,1-2H3,(H,24,27)/b13-12+