tert-butyl 4-[(3Z)-3-(3-chloranyl-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3Z)-3-(3-chloranyl-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(3Z)-3-(3-chloro-4-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]piperazine-1-carboxylate CAS Name: 4-[(3Z)-3-(3-chloro-4-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazol-4-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3Z)-3-(3-chloro-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]piperazine-1-carboxylate Traditional Name: 4-[(3Z)-3-(3-chloro-4-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)-3-pyrazolin-4-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H23ClN4O4 MolecularWeight: 394.85262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CNNC2=C3C=C(C(=CC3=O)O)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C\2=CNN/C2=C\3/C=C(C(=CC3=O)O)Cl

InChI

InChI=1S/C18H23ClN4O4/c1-18(2,3)27-17(26)23-6-4-22(5-7-23)13-10-20-21-16(13)11-8-12(19)15(25)9-14(11)24/h8-10,20-21,25H,4-7H2,1-3H3/b16-11-