1-[6-[(5-chloranyl-2-methyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-[(5-chloranyl-2-methyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(5-chloro-2-methylanilino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(5-chloro-2-methylanilino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C17H18ClN5O4 MolecularWeight: 391.80892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN5O4/c1-10-2-3-12(18)8-13(10)21-15-14(23(26)27)16(20-9-19-15)22-6-4-11(5-7-22)17(24)25/h2-3,8-9,11H,4-7H2,1H3,(H,24,25)(H,19,20,21)