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

Systemtic Name: ethyl 1-[6-[ethyl-(3-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(N-ethyl-3-methyl-anilino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(N-ethyl-3-methylanilino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(N-ethyl-3-methylanilino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(N-ethyl-3-methyl-anilino)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C21H27N5O4/c1-4-25(17-8-6-7-15(3)13-17)20-18(26(28)29)19(22-14-23-20)24-11-9-16(10-12-24)21(27)30-5-2/h6-8,13-14,16H,4-5,9-12H2,1-3H3