tert-butyl 3-[(6Z)-2-azanyl-3-cyano-6-(2-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(6Z)-2-azanyl-3-cyano-6-(2-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(6Z)-2-amino-3-cyano-6-(2-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylate CAS Name: 3-[(6Z)-2-amino-3-cyano-6-(2-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyridin-4-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(6Z)-2-amino-3-cyano-6-(2-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylate Traditional Name: 3-[(6Z)-2-amino-3-cyano-6-(2-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC(=C3C(=O)C=CC=C3O)NC(=C2C#N)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C2=C/C(=C\3/C(=O)C=CC=C3O)/NC(=C2C#N)N

InChI

InChI=1S/C22H26N4O4/c1-22(2,3)30-21(29)26-9-5-6-13(12-26)14-10-16(25-20(24)15(14)11-23)19-17(27)7-4-8-18(19)28/h4,7-8,10,13,25,27H,5-6,9,12,24H2,1-3H3/b19-16-