tert-butyl 4-[7-[(3-nitropyridin-2-yl)-oxidanidyl-amino]naphthalen-1-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[7-[(3-nitropyridin-2-yl)-oxidanidyl-amino]naphthalen-1-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-[(3-nitro-2-pyridyl)-oxido-amino]-1-naphthyl]piperazine-1-carboxylate CAS Name: 4-[7-[(3-nitro-2-pyridinyl)-oxidoamino]-1-naphthalenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-[(3-nitropyridin-2-yl)-oxidoamino]naphthalen-1-yl]piperazine-1-carboxylate Traditional Name: 4-[7-[(3-nitro-2-pyridyl)-oxido-amino]-1-naphthyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H26N5O5- MolecularWeight: 464.49374

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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(C4=C(C=CC=N4)[N+](=O)[O-])[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC3=C2C=C(C=C3)N(C4=C(C=CC=N4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C24H26N5O5/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)28(31)22-21(29(32)33)8-5-11-25-22/h4-11,16H,12-15H2,1-3H3/q-1