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

Systemtic Name: 2-chloranyl-4-[[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylamino]benzoic acid Openeye Name: 2-chloro-4-[[2-(4-methyl-1-piperidyl)-5-nitro-benzoyl]amino]benzoic acid CAS Name: 2-chloro-4-[[[2-(4-methyl-1-piperidinyl)-5-nitrophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]benzoic acid Traditional Name: 2-chloro-4-[[2-(4-methylpiperidino)-5-nitro-benzoyl]amino]benzoic acid Formula: C20H20ClN3O5 MolecularWeight: 417.8429

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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(=C(C=C3)C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O5/c1-12-6-8-23(9-7-12)18-5-3-14(24(28)29)11-16(18)19(25)22-13-2-4-15(20(26)27)17(21)10-13/h2-5,10-12H,6-9H2,1H3,(H,22,25)(H,26,27)