ethyl 4-[(4-iodophenyl)methylamino]-1-(4-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-[(4-iodophenyl)methylamino]-1-(4-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-[(4-iodophenyl)methylamino]-6-oxo-1-(p-tolyl)pyridazine-3-carboxylate CAS Name: 4-[(4-iodophenyl)methylamino]-1-(4-methylphenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-iodophenyl)methylamino]-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-[(4-iodobenzyl)amino]-6-keto-1-(p-tolyl)pyridazine-3-carboxylic acid ethyl ester Formula: C21H20IN3O3 MolecularWeight: 489.30627

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NCC2=CC=C(C=C2)I)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NCC2=CC=C(C=C2)I)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H20IN3O3/c1-3-28-21(27)20-18(23-13-15-6-8-16(22)9-7-15)12-19(26)25(24-20)17-10-4-14(2)5-11-17/h4-12,23H,3,13H2,1-2H3