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

Systemtic Name: 2-methyl-3-[[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylamino]benzoic acid Openeye Name: 2-methyl-3-[[2-(4-methyl-1-piperidyl)-5-nitro-benzoyl]amino]benzoic acid CAS Name: 2-methyl-3-[[[2-(4-methyl-1-piperidinyl)-5-nitrophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-methyl-3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]benzoic acid Traditional Name: 2-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=CC=CC(=C3C)C(=O)O

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC(=C3C)C(=O)O

InChI

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