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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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