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

Systemtic Name: 4-methyl-3-[[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylamino]benzoic acid Openeye Name: 4-methyl-3-[[2-(4-methyl-1-piperidyl)-5-nitro-benzoyl]amino]benzoic acid CAS Name: 4-methyl-3-[[[2-(4-methyl-1-piperidinyl)-5-nitrophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]benzoic acid Traditional Name: 4-methyl-3-[[2-(4-methylpiperidino)-5-nitro-benzoyl]amino]benzoic acid Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-13-7-9-23(10-8-13)19-6-5-16(24(28)29)12-17(19)20(25)22-18-11-15(21(26)27)4-3-14(18)2/h3-6,11-13H,7-10H2,1-2H3,(H,22,25)(H,26,27)