[2-[[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 5-propyl-1H-pyrazole-3-carboxylate

Systemtic Name: [2-[[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 5-propyl-1H-pyrazole-3-carboxylate Openeye Name: [2-[[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 5-propyl-1H-pyrazole-3-carboxylate CAS Name: 5-propyl-1H-pyrazole-3-carboxylic acid [2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate Traditional Name: 5-propyl-1H-pyrazole-3-carboxylic acid [2-[[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C18H21ClN4O4 MolecularWeight: 392.83674

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NN1)C(=O)OCC(=O)NCC(=O)NC2=C(C(=CC=C2)Cl)C

Isomeric SMILES

CCCC1=CC(=NN1)C(=O)OCC(=O)NCC(=O)NC2=C(C(=CC=C2)Cl)C

InChI

InChI=1S/C18H21ClN4O4/c1-3-5-12-8-15(23-22-12)18(26)27-10-17(25)20-9-16(24)21-14-7-4-6-13(19)11(14)2/h4,6-8H,3,5,9-10H2,1-2H3,(H,20,25)(H,21,24)(H,22,23)