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

Systemtic Name: methyl 1-[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O4/c1-28-19(25)14-6-9-22(10-7-14)17-16(24(26)27)18(21-12-20-17)23-11-8-13-4-2-3-5-15(13)23/h2-5,12,14H,6-11H2,1H3