[2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-(3-isopropoxypropylamino)-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-(3-isopropoxypropylamino)-2-keto-ethyl] ester Formula: C19H27N3O6 MolecularWeight: 393.43418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OCCCNC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O6/c1-14(2)27-11-5-8-20-18(23)13-28-19(24)15-6-7-16(17(12-15)22(25)26)21-9-3-4-10-21/h6-7,12,14H,3-5,8-11,13H2,1-2H3,(H,20,23)