3-[[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-[[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylamino]benzoic acid Openeye Name: 3-[[2-(4-methyl-1-piperidyl)-5-nitro-benzoyl]amino]benzoic acid CAS Name: 3-[[[2-(4-methyl-1-piperidinyl)-5-nitrophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]benzoic acid Traditional Name: 3-[[2-(4-methylpiperidino)-5-nitro-benzoyl]amino]benzoic acid Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C20H21N3O5/c1-13-7-9-22(10-8-13)18-6-5-16(23(27)28)12-17(18)19(24)21-15-4-2-3-14(11-15)20(25)26/h2-6,11-13H,7-10H2,1H3,(H,21,24)(H,25,26)