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

Systemtic Name: methyl 1-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(1-benzotriazolyl)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(benzotriazol-1-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C17H17N7O4 MolecularWeight: 383.36138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H17N7O4/c1-28-17(25)11-6-8-22(9-7-11)15-14(24(26)27)16(19-10-18-15)23-13-5-3-2-4-12(13)20-21-23/h2-5,10-11H,6-9H2,1H3