[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxidanylidene-ethyl] 2-azanyl-5-bromanyl-benzoate

Systemtic Name: [2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxidanylidene-ethyl] 2-azanyl-5-bromanyl-benzoate Openeye Name: [2-[[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]amino]-2-oxo-ethyl] 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [2-[[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl] 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [2-[[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]amino]-2-keto-ethyl] ester Formula: C21H21BrN4O3 MolecularWeight: 457.32044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)COC(=O)C3=C(C=CC(=C3)Br)N)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)COC(=O)C3=C(C=CC(=C3)Br)N)C

InChI

InChI=1S/C21H21BrN4O3/c1-12-4-7-16(8-5-12)26-14(3)20(13(2)25-26)24-19(27)11-29-21(28)17-10-15(22)6-9-18(17)23/h4-10H,11,23H2,1-3H3,(H,24,27)