(4-propanoylphenyl) 4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: (4-propanoylphenyl) 4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: (4-propanoylphenyl) 4-[(3R)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3R)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3R)-3-methylpiperidino]-3-nitro-benzoic acid (4-propionylphenyl) ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)N3CCCC(C3)C)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)N3CCC[C@H](C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O5/c1-3-21(25)16-6-9-18(10-7-16)29-22(26)17-8-11-19(20(13-17)24(27)28)23-12-4-5-15(2)14-23/h6-11,13,15H,3-5,12,14H2,1-2H3/t15-/m1/s1