4-[1-azanyl-3-(5-nitro-2-piperidin-1-yl-phenyl)-1-oxidanylidene-butan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-3-(5-nitro-2-piperidin-1-yl-phenyl)-1-oxidanylidene-butan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[5-nitro-2-(1-piperidyl)phenyl]propyl]benzoic acid CAS Name: 4-[1-amino-3-[5-nitro-2-(1-piperidinyl)phenyl]-1-oxobutan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-(5-nitro-2-piperidin-1-ylphenyl)-1-oxobutan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-(5-nitro-2-piperidino-phenyl)propyl]benzoic acid Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

CC(C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C22H25N3O5/c1-14(20(21(23)26)15-5-7-16(8-6-15)22(27)28)18-13-17(25(29)30)9-10-19(18)24-11-3-2-4-12-24/h5-10,13-14,20H,2-4,11-12H2,1H3,(H2,23,26)(H,27,28)