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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c24-19(21-13-14-4-6-15(7-5-14)20(25)26)16-8-9-17(18(12-16)23(27)28)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11,13H2,(H,21,24)(H,25,26)