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

Systemtic Name: methyl 1-[6-[(3,5-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(3,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(3,5-dimethylanilino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(3,5-dimethylanilino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(3,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OC)C

InChI

InChI=1S/C19H23N5O4/c1-12-8-13(2)10-15(9-12)22-17-16(24(26)27)18(21-11-20-17)23-6-4-14(5-7-23)19(25)28-3/h8-11,14H,4-7H2,1-3H3,(H,20,21,22)