ethyl 4-[(3-bromophenyl)carbonylamino]-1-(2-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-[(3-bromophenyl)carbonylamino]-1-(2-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-[(3-bromobenzoyl)amino]-1-(o-tolyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-[[(3-bromophenyl)-oxomethyl]amino]-1-(2-methylphenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-bromobenzoyl)amino]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-[(3-bromobenzoyl)amino]-6-keto-1-(o-tolyl)pyridazine-3-carboxylic acid ethyl ester Formula: C21H18BrN3O4 MolecularWeight: 456.28932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2=CC(=CC=C2)Br)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2=CC(=CC=C2)Br)C3=CC=CC=C3C

InChI

InChI=1S/C21H18BrN3O4/c1-3-29-21(28)19-16(23-20(27)14-8-6-9-15(22)11-14)12-18(26)25(24-19)17-10-5-4-7-13(17)2/h4-12H,3H2,1-2H3,(H,23,27)