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

Systemtic Name: 1-[5-nitro-6-[(4-propan-2-ylphenyl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(4-isopropylanilino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-nitro-6-(4-propan-2-ylanilino)-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-nitro-6-(4-propan-2-ylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-(6-cumidino-5-nitro-pyrimidin-4-yl)isonipecotic acid Formula: C19H23N5O4 MolecularWeight: 385.41702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O4/c1-12(2)13-3-5-15(6-4-13)22-17-16(24(27)28)18(21-11-20-17)23-9-7-14(8-10-23)19(25)26/h3-6,11-12,14H,7-10H2,1-2H3,(H,25,26)(H,20,21,22)