1-[6-[(2,3-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-[(2,3-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(2,3-dimethylanilino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(2,3-dimethylanilino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(2,3-dimethylanilino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(2,3-dimethylanilino)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O4/c1-11-4-3-5-14(12(11)2)21-16-15(23(26)27)17(20-10-19-16)22-8-6-13(7-9-22)18(24)25/h3-5,10,13H,6-9H2,1-2H3,(H,24,25)(H,19,20,21)