(4-ethanoyl-2-methoxy-phenyl) 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: (4-ethanoyl-2-methoxy-phenyl) 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (4-acetyl-2-methoxy-phenyl) 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (4-acetyl-2-methoxyphenyl) ester IUPAC Name: (4-acetyl-2-methoxyphenyl) 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (4-acetyl-2-methoxy-phenyl) ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-14(24)15-7-9-19(20(13-15)28-2)29-21(25)16-6-8-17(18(12-16)23(26)27)22-10-4-3-5-11-22/h6-9,12-13H,3-5,10-11H2,1-2H3