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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C[C@H]1CCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H16N2O4/c1-9-4-2-3-7-14(9)12-6-5-10(15(18)19)8-11(12)13(16)17/h5-6,8-9H,2-4,7H2,1H3,(H,16,17)/t9-/m0/s1