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

Systemtic Name: 3-chloranyl-4-methoxy-5-[[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylamino]benzoic acid Openeye Name: 3-chloro-4-methoxy-5-[[2-(4-methyl-1-piperidyl)-5-nitro-benzoyl]amino]benzoic acid CAS Name: 3-chloro-4-methoxy-5-[[[2-(4-methyl-1-piperidinyl)-5-nitrophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-chloro-4-methoxy-5-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]benzoic acid Traditional Name: 3-chloro-4-methoxy-5-[[2-(4-methylpiperidino)-5-nitro-benzoyl]amino]benzoic acid Formula: C21H22ClN3O6 MolecularWeight: 447.86888

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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)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O6/c1-12-5-7-24(8-6-12)18-4-3-14(25(29)30)11-15(18)20(26)23-17-10-13(21(27)28)9-16(22)19(17)31-2/h3-4,9-12H,5-8H2,1-2H3,(H,23,26)(H,27,28)