ethyl 1-[4-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[[2-(2-bromoanilino)-2-oxo-ethyl]carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[[2-(2-bromoanilino)-2-oxoethyl]amino]-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[2-(2-bromoanilino)-2-oxoethyl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-[[2-(2-bromoanilino)-2-keto-ethyl]carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C22H21BrN4O4 MolecularWeight: 485.33054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC(=O)NC3=CC=CC=C3Br)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC(=O)NC3=CC=CC=C3Br)C

InChI

InChI=1S/C22H21BrN4O4/c1-3-31-22(30)17-12-25-27(14(17)2)16-10-8-15(9-11-16)21(29)24-13-20(28)26-19-7-5-4-6-18(19)23/h4-12H,3,13H2,1-2H3,(H,24,29)(H,26,28)