2-[4-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[[5-nitro-2-(1-piperidyl)benzoyl]amino]phenyl]acetic acid CAS Name: 2-[4-[[[5-nitro-2-(1-piperidinyl)phenyl]-oxomethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]phenyl]acetic acid Traditional Name: 2-[4-[(5-nitro-2-piperidino-benzoyl)amino]phenyl]acetic acid Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)CC(=O)O

InChI

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