[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-(diisopropylamino)-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[di(propan-2-yl)amino]-2-oxoethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-(diisopropylamino)-2-keto-ethyl] ester Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)COC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(C(C)C)C(=O)COC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C20H29N3O5/c1-14(2)22(15(3)4)19(24)13-28-20(25)16-8-9-17(18(12-16)23(26)27)21-10-6-5-7-11-21/h8-9,12,14-15H,5-7,10-11,13H2,1-4H3