[2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C21H19BrN4O4 MolecularWeight: 471.30396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C21H19BrN4O4/c1-14-11-16(22)5-8-18(14)25-19(27)12-23-20(28)13-30-21(29)15-3-6-17(7-4-15)26-10-2-9-24-26/h2-11H,12-13H2,1H3,(H,23,28)(H,25,27)