ethyl 1-[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)piperidine-4-carboxylate CAS Name: 1-[6-(2,3-dihydroindol-1-yl)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)isonipecotic acid ethyl ester Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C43

InChI

InChI=1S/C20H23N5O4/c1-2-29-20(26)15-7-10-23(11-8-15)18-17(25(27)28)19(22-13-21-18)24-12-9-14-5-3-4-6-16(14)24/h3-6,13,15H,2,7-12H2,1H3