tert-butyl 4-[7-[(3-nitro-1-oxidanyl-pyridin-2-ylidene)amino]naphthalen-1-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[7-[(3-nitro-1-oxidanyl-pyridin-2-ylidene)amino]naphthalen-1-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-[(1-hydroxy-3-nitro-2-pyridylidene)amino]-1-naphthyl]piperazine-1-carboxylate CAS Name: 4-[7-[(1-hydroxy-3-nitro-2-pyridinylidene)amino]-1-naphthalenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-[(1-hydroxy-3-nitropyridin-2-ylidene)amino]naphthalen-1-yl]piperazine-1-carboxylate Traditional Name: 4-[7-[(1-hydroxy-3-nitro-2-pyridylidene)amino]-1-naphthyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H27N5O5 MolecularWeight: 465.50168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC3=C2C=C(C=C3)N=C4C(=CC=CN4O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC3=C2C=C(C=C3)N=C4C(=CC=CN4O)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O5/c1-24(2,3)34-23(30)27-14-12-26(13-15-27)20-7-4-6-17-9-10-18(16-19(17)20)25-22-21(29(32)33)8-5-11-28(22)31/h4-11,16,31H,12-15H2,1-3H3