2-[(3S)-3-methylpiperidin-1-yl]-5-nitro-benzoic acid

Systemtic Name: 2-[(3S)-3-methylpiperidin-1-yl]-5-nitro-benzoic acid Openeye Name: 2-[(3S)-3-methyl-1-piperidyl]-5-nitro-benzoic acid CAS Name: 2-[(3S)-3-methyl-1-piperidinyl]-5-nitrobenzoic acid IUPAC Name: 2-[(3S)-3-methylpiperidin-1-yl]-5-nitrobenzoic acid Traditional Name: 2-[(3S)-3-methylpiperidino]-5-nitro-benzoic acid Formula: C13H16N2O4 MolecularWeight: 264.27714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H16N2O4/c1-9-3-2-6-14(8-9)12-5-4-10(15(18)19)7-11(12)13(16)17/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,17)/t9-/m0/s1