5-nitro-2,4-di(piperidin-1-yl)benzoic acid

Systemtic Name: 5-nitro-2,4-di(piperidin-1-yl)benzoic acid Openeye Name: 5-nitro-2,4-bis(1-piperidyl)benzoic acid CAS Name: 5-nitro-2,4-bis(1-piperidinyl)benzoic acid IUPAC Name: 5-nitro-2,4-di(piperidin-1-yl)benzoic acid Traditional Name: 5-nitro-2,4-dipiperidino-benzoic acid Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=C(C=C2C(=O)O)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

C1CCN(CC1)C2=CC(=C(C=C2C(=O)O)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C17H23N3O4/c21-17(22)13-11-16(20(23)24)15(19-9-5-2-6-10-19)12-14(13)18-7-3-1-4-8-18/h11-12H,1-10H2,(H,21,22)