ethyl 1-[6-[2-(2-ethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[2-(2-ethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[2-(2-ethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[2-(2-ethoxyphenyl)ethylamino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[2-(2-ethoxyphenyl)ethylamino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-(2-o-phenetylethylamino)pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C22H29N5O5 MolecularWeight: 443.49616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C22H29N5O5/c1-3-31-18-8-6-5-7-16(18)9-12-23-20-19(27(29)30)21(25-15-24-20)26-13-10-17(11-14-26)22(28)32-4-2/h5-8,15,17H,3-4,9-14H2,1-2H3,(H,23,24,25)