ethyl 1-(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)piperidine-3-carboxylate Openeye Name: ethyl 1-(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)piperidine-3-carboxylate CAS Name: 1-[5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-nitro-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylate Traditional Name: 1-(5-nitro-6-pyrrolidino-pyrimidin-4-yl)nipecotic acid ethyl ester Formula: C16H23N5O4 MolecularWeight: 349.38492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C16H23N5O4/c1-2-25-16(22)12-6-5-9-20(10-12)15-13(21(23)24)14(17-11-18-15)19-7-3-4-8-19/h11-12H,2-10H2,1H3