(4-acetamidophenyl) 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: (4-acetamidophenyl) 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (4-acetamidophenyl) 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (4-acetamidophenyl) ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c1-14(24)21-16-6-8-17(9-7-16)28-20(25)15-5-10-18(19(13-15)23(26)27)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12H2,1H3,(H,21,24)