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

Systemtic Name: 4-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]amino]benzoic acid CAS Name: 4-[[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]benzoic acid Traditional Name: 4-[[4-(4-methylpiperidino)-3-nitro-benzoyl]amino]benzoic acid Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5/c1-13-8-10-22(11-9-13)17-7-4-15(12-18(17)23(27)28)19(24)21-16-5-2-14(3-6-16)20(25)26/h2-7,12-13H,8-11H2,1H3,(H,21,24)(H,25,26)