[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 5-nitro-2-piperidin-1-yl-benzoate

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 5-nitro-2-piperidin-1-yl-benzoate Openeye Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl] 5-nitro-2-(1-piperidyl)benzoate CAS Name: 5-nitro-2-(1-piperidinyl)benzoic acid [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 5-nitro-2-piperidin-1-ylbenzoate Traditional Name: 5-nitro-2-piperidino-benzoic acid [2-keto-2-[(3S)-3-methylpiperidino]ethyl] ester Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C20H27N3O5/c1-15-6-5-11-22(13-15)19(24)14-28-20(25)17-12-16(23(26)27)7-8-18(17)21-9-3-2-4-10-21/h7-8,12,15H,2-6,9-11,13-14H2,1H3/t15-/m0/s1