ethyl 1-[6-[4-(benzotriazol-1-yl)piperidin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[4-(benzotriazol-1-yl)piperidin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[4-(benzotriazol-1-yl)-1-piperidyl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[4-(1-benzotriazolyl)-1-piperidinyl]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[4-(benzotriazol-1-yl)piperidin-1-yl]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[4-(benzotriazol-1-yl)piperidino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C23H28N8O4 MolecularWeight: 480.51962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N3CCC(CC3)N4C5=CC=CC=C5N=N4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N3CCC(CC3)N4C5=CC=CC=C5N=N4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N8O4/c1-2-35-23(32)16-7-11-28(12-8-16)21-20(31(33)34)22(25-15-24-21)29-13-9-17(10-14-29)30-19-6-4-3-5-18(19)26-27-30/h3-6,15-17H,2,7-14H2,1H3