ethyl 1-[6-(4-ethanoyl-1,4-diazepan-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-(4-ethanoyl-1,4-diazepan-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(4-acetyl-1,4-diazepan-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(4-acetyl-1,4-diazepan-1-yl)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(4-acetyl-1,4-diazepan-1-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(4-acetyl-1,4-diazepan-1-yl)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C19H28N6O5 MolecularWeight: 420.46282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCN(CC3)C(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCN(CC3)C(=O)C

InChI

InChI=1S/C19H28N6O5/c1-3-30-19(27)15-5-9-24(10-6-15)18-16(25(28)29)17(20-13-21-18)23-8-4-7-22(11-12-23)14(2)26/h13,15H,3-12H2,1-2H3