[1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate

Systemtic Name: [1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate Openeye Name: [2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl] 1-benzyl-6-oxo-pyridazine-3-carboxylate CAS Name: 6-oxo-1-(phenylmethyl)-3-pyridazinecarboxylic acid [1-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-benzyl-6-keto-pyridazine-3-carboxylic acid [2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H20N4O5/c1-14(21(29)24-17-9-7-16(8-10-17)20(23)28)31-22(30)18-11-12-19(27)26(25-18)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H2,23,28)(H,24,29)