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

Systemtic Name: [2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(2-bromoanilino)-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-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromoanilino)-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-(2-bromoanilino)-2-keto-ethyl] ester Formula: C21H17BrClN3O3 MolecularWeight: 474.73498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC(=O)NC2=CC=CC=C2Br)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC(=O)NC2=CC=CC=C2Br)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H17BrClN3O3/c1-14-16(21(23)26(25-14)15-7-3-2-4-8-15)11-12-20(28)29-13-19(27)24-18-10-6-5-9-17(18)22/h2-12H,13H2,1H3,(H,24,27)/b12-11+