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

Systemtic Name: 4-methoxy-3-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]benzoic acid Openeye Name: 4-methoxy-3-[[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]amino]benzoic acid CAS Name: 4-methoxy-3-[[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-methoxy-3-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]benzoic acid Traditional Name: 4-methoxy-3-[[4-(4-methylpiperidino)-3-nitro-benzoyl]amino]benzoic acid Formula: C21H23N3O6 MolecularWeight: 413.42382

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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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6/c1-13-7-9-23(10-8-13)17-5-3-14(12-18(17)24(28)29)20(25)22-16-11-15(21(26)27)4-6-19(16)30-2/h3-6,11-13H,7-10H2,1-2H3,(H,22,25)(H,26,27)