methyl 4-[4-(4-azanyl-3-nitro-pyridin-2-yl)piperidin-1-yl]piperidine-1-carboxylate

Systemtic Name: methyl 4-[4-(4-azanyl-3-nitro-pyridin-2-yl)piperidin-1-yl]piperidine-1-carboxylate Openeye Name: methyl 4-[4-(4-amino-3-nitro-2-pyridyl)-1-piperidyl]piperidine-1-carboxylate CAS Name: 4-[4-(4-amino-3-nitro-2-pyridinyl)-1-piperidinyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-amino-3-nitropyridin-2-yl)piperidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(4-amino-3-nitro-2-pyridyl)piperidino]piperidine-1-carboxylic acid methyl ester Formula: C17H25N5O4 MolecularWeight: 363.4115

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC(CC1)N2CCC(CC2)C3=NC=CC(=C3[N+](=O)[O-])N

Isomeric SMILES

COC(=O)N1CCC(CC1)N2CCC(CC2)C3=NC=CC(=C3[N+](=O)[O-])N

InChI

InChI=1S/C17H25N5O4/c1-26-17(23)21-10-5-13(6-11-21)20-8-3-12(4-9-20)15-16(22(24)25)14(18)2-7-19-15/h2,7,12-13H,3-6,8-11H2,1H3,(H2,18,19)