(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O6/c1-24-9-6-17-13-5-4-12(10-14(13)19(22)23)16(21)25-11-15(20)18-7-2-3-8-18/h4-5,10,17H,2-3,6-9,11H2,1H3