butanoyloxymethyl 2-[(E)-N-[(3-chlorophenyl)carbamoylamino]-C-methyl-carbonimidoyl]pyridine-3-carboxylate

Systemtic Name: butanoyloxymethyl 2-[(E)-N-[(3-chlorophenyl)carbamoylamino]-C-methyl-carbonimidoyl]pyridine-3-carboxylate Openeye Name: butanoyloxymethyl 2-[(E)-N-[(3-chlorophenyl)carbamoylamino]-C-methyl-carbonimidoyl]pyridine-3-carboxylate CAS Name: 2-[(1E)-1-[[(3-chloroanilino)-oxomethyl]hydrazinylidene]ethyl]-3-pyridinecarboxylic acid 1-oxobutoxymethyl ester IUPAC Name: butanoyloxymethyl 2-[(E)-N-[(3-chlorophenyl)carbamoylamino]-C-methylcarbonimidoyl]pyridine-3-carboxylate Traditional Name: 2-[(E)-N-[(3-chlorophenyl)carbamoylamino]-C-methyl-carbonimidoyl]nicotinic acid butyryloxymethyl ester Formula: C20H21ClN4O5 MolecularWeight: 432.85754

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCOC(=O)C1=C(N=CC=C1)C(=NNC(=O)NC2=CC(=CC=C2)Cl)C

Isomeric SMILES

CCCC(=O)OCOC(=O)C1=C(N=CC=C1)/C(=N/NC(=O)NC2=CC(=CC=C2)Cl)/C

InChI

InChI=1S/C20H21ClN4O5/c1-3-6-17(26)29-12-30-19(27)16-9-5-10-22-18(16)13(2)24-25-20(28)23-15-8-4-7-14(21)11-15/h4-5,7-11H,3,6,12H2,1-2H3,(H2,23,25,28)/b24-13+