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

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenoic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylic acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C23H22BrN3O3 MolecularWeight: 468.34308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C=CC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)/C=C/C2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C23H22BrN3O3/c1-15-13-18(24)9-11-21(15)25-22(28)14-30-23(29)12-10-20-16(2)26-27(17(20)3)19-7-5-4-6-8-19/h4-13H,14H2,1-3H3,(H,25,28)/b12-10+