[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-1-phenyl-pyridazine-3-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-1-phenyl-pyridazine-3-carboxylate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 6-methyl-4-oxo-1-phenyl-pyridazine-3-carboxylate CAS Name: 6-methyl-4-oxo-1-phenyl-3-pyridazinecarboxylic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate Traditional Name: 4-keto-6-methyl-1-phenyl-pyridazine-3-carboxylic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C21H18BrN3O4 MolecularWeight: 456.28932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3)Br

InChI

InChI=1S/C21H18BrN3O4/c1-13-8-9-17(16(22)10-13)23-19(27)12-29-21(28)20-18(26)11-14(2)25(24-20)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,23,27)