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

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H21N3O5 MolecularWeight: 347.36574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1CC1)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5/c1-11(16(21)18-13-5-6-13)25-17(22)12-4-7-14(15(10-12)20(23)24)19-8-2-3-9-19/h4,7,10-11,13H,2-3,5-6,8-9H2,1H3,(H,18,21)