[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 1-butyl-6-oxo-pyridazine-3-carboxylate CAS Name: 1-butyl-6-oxo-3-pyridazinecarboxylic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-butyl-6-keto-pyridazine-3-carboxylic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C18H17ClN4O4 MolecularWeight: 388.80498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C=CC(=N1)C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

CCCCN1C(=O)C=CC(=N1)C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C18H17ClN4O4/c1-2-3-8-23-17(25)7-6-15(22-23)18(26)27-11-16(24)21-13-5-4-12(10-20)14(19)9-13/h4-7,9H,2-3,8,11H2,1H3,(H,21,24)