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

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

Isomeric SMILES

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

InChI

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