ethyl 1-[5-nitro-6-[(4-propan-2-ylphenyl)amino]pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-nitro-6-[(4-propan-2-ylphenyl)amino]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(4-isopropylanilino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-(4-propan-2-ylanilino)-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-(4-propan-2-ylanilino)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-(6-cumidino-5-nitro-pyrimidin-4-yl)isonipecotic acid ethyl ester Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O4/c1-4-30-21(27)16-9-11-25(12-10-16)20-18(26(28)29)19(22-13-23-20)24-17-7-5-15(6-8-17)14(2)3/h5-8,13-14,16H,4,9-12H2,1-3H3,(H,22,23,24)