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

Systemtic Name: ethyl 1-[6-[(2-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(2-methylanilino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(2-methylanilino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(2-methylanilino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-(o-toluidino)pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC=C3C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC=C3C)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O4/c1-3-28-19(25)14-8-10-23(11-9-14)18-16(24(26)27)17(20-12-21-18)22-15-7-5-4-6-13(15)2/h4-7,12,14H,3,8-11H2,1-2H3,(H,20,21,22)