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

Systemtic Name: (4-propanoylphenyl) 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (4-propanoylphenyl) 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (4-propionylphenyl) ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5/c1-2-20(24)15-6-9-17(10-7-15)28-21(25)16-8-11-18(19(14-16)23(26)27)22-12-4-3-5-13-22/h6-11,14H,2-5,12-13H2,1H3