ethyl 1-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-(1-benzimidazolyl)-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C19H20N6O4 MolecularWeight: 396.3999

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43

InChI

InChI=1S/C19H20N6O4/c1-2-29-19(26)13-6-5-9-23(10-13)17-16(25(27)28)18(21-11-20-17)24-12-22-14-7-3-4-8-15(14)24/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3