(1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl) 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (2-keto-1-methyl-2-pyrrolidino-ethyl) ester Formula: C18H23N3O6 MolecularWeight: 377.39172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCCC1)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O6/c1-13(17(22)20-6-2-3-7-20)27-18(23)14-4-5-15(16(12-14)21(24)25)19-8-10-26-11-9-19/h4-5,12-13H,2-3,6-11H2,1H3