5-[4-(dimethylamino)piperidin-1-yl]-2-nitro-benzoic acid

Systemtic Name: 5-[4-(dimethylamino)piperidin-1-yl]-2-nitro-benzoic acid Openeye Name: 5-[4-(dimethylamino)-1-piperidyl]-2-nitro-benzoic acid CAS Name: 5-[4-(dimethylamino)-1-piperidinyl]-2-nitrobenzoic acid IUPAC Name: 5-[4-(dimethylamino)piperidin-1-yl]-2-nitrobenzoic acid Traditional Name: 5-[4-(dimethylamino)piperidino]-2-nitro-benzoic acid Formula: C14H19N3O4 MolecularWeight: 293.31836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O4/c1-15(2)10-5-7-16(8-6-10)11-3-4-13(17(20)21)12(9-11)14(18)19/h3-4,9-10H,5-8H2,1-2H3,(H,18,19)