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

Systemtic Name: 4-[[[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(4-methyl-1-piperidyl)-5-nitro-benzoyl]amino]methyl]benzoic acid CAS Name: 4-[[[[2-(4-methyl-1-piperidinyl)-5-nitrophenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(4-methylpiperidino)-5-nitro-benzoyl]amino]methyl]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)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H23N3O5/c1-14-8-10-23(11-9-14)19-7-6-17(24(28)29)12-18(19)20(25)22-13-15-2-4-16(5-3-15)21(26)27/h2-7,12,14H,8-11,13H2,1H3,(H,22,25)(H,26,27)