3-nitro-4-(piperidin-4-ylamino)benzoic acid

Systemtic Name: 3-nitro-4-(piperidin-4-ylamino)benzoic acid Openeye Name: 3-nitro-4-(4-piperidylamino)benzoic acid CAS Name: 3-nitro-4-(4-piperidinylamino)benzoic acid IUPAC Name: 3-nitro-4-(piperidin-4-ylamino)benzoic acid Traditional Name: 3-nitro-4-(4-piperidylamino)benzoic acid Formula: C12H15N3O4 MolecularWeight: 265.2652

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CNCCC1NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O4/c16-12(17)8-1-2-10(11(7-8)15(18)19)14-9-3-5-13-6-4-9/h1-2,7,9,13-14H,3-6H2,(H,16,17)