3-nitro-4-[4-(phenylmethyl)piperidin-1-yl]benzoic acid

Systemtic Name: 3-nitro-4-[4-(phenylmethyl)piperidin-1-yl]benzoic acid Openeye Name: 4-(4-benzyl-1-piperidyl)-3-nitro-benzoic acid CAS Name: 3-nitro-4-[4-(phenylmethyl)-1-piperidinyl]benzoic acid IUPAC Name: 4-(4-benzylpiperidin-1-yl)-3-nitrobenzoic acid Traditional Name: 4-(4-benzylpiperidino)-3-nitro-benzoic acid Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O4/c22-19(23)16-6-7-17(18(13-16)21(24)25)20-10-8-15(9-11-20)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,23)