3-nitro-4-(2-pyridin-3-ylpiperidin-1-yl)benzoic acid

Systemtic Name: 3-nitro-4-(2-pyridin-3-ylpiperidin-1-yl)benzoic acid Openeye Name: 3-nitro-4-[2-(3-pyridyl)-1-piperidyl]benzoic acid CAS Name: 3-nitro-4-[2-(3-pyridinyl)-1-piperidinyl]benzoic acid IUPAC Name: 3-nitro-4-(2-pyridin-3-ylpiperidin-1-yl)benzoic acid Traditional Name: 3-nitro-4-[2-(3-pyridyl)piperidino]benzoic acid Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CN=CC=C2)C3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C(C1)C2=CN=CC=C2)C3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4/c21-17(22)12-6-7-15(16(10-12)20(23)24)19-9-2-1-5-14(19)13-4-3-8-18-11-13/h3-4,6-8,10-11,14H,1-2,5,9H2,(H,21,22)