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

Systemtic Name: 4-chloranyl-3-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]benzoic acid Openeye Name: 4-chloro-3-[[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]amino]benzoic acid CAS Name: 4-chloro-3-[[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[4-(4-methylpiperidino)-3-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)C(=O)NC3=C(C=CC(=C3)C(=O)O)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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