[2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate

Systemtic Name: [2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate Openeye Name: [2-(3-ethylanilino)-2-oxo-ethyl] 1-benzyl-6-oxo-pyridazine-3-carboxylate CAS Name: 6-oxo-1-(phenylmethyl)-3-pyridazinecarboxylic acid [2-(3-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylanilino)-2-oxoethyl] 1-benzyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-benzyl-6-keto-pyridazine-3-carboxylic acid [2-(3-ethylanilino)-2-keto-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O4/c1-2-16-9-6-10-18(13-16)23-20(26)15-29-22(28)19-11-12-21(27)25(24-19)14-17-7-4-3-5-8-17/h3-13H,2,14-15H2,1H3,(H,23,26)