3-nitro-2,6-di(piperidin-1-yl)benzoic acid

Systemtic Name: 3-nitro-2,6-di(piperidin-1-yl)benzoic acid Openeye Name: 3-nitro-2,6-bis(1-piperidyl)benzoic acid CAS Name: 3-nitro-2,6-bis(1-piperidinyl)benzoic acid IUPAC Name: 3-nitro-2,6-di(piperidin-1-yl)benzoic acid Traditional Name: 3-nitro-2,6-dipiperidino-benzoic acid Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4/c21-17(22)15-13(18-9-3-1-4-10-18)7-8-14(20(23)24)16(15)19-11-5-2-6-12-19/h7-8H,1-6,9-12H2,(H,21,22)