(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C16H20N2O7 MolecularWeight: 352.3392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)N2CCCC2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)N2CCCC2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H20N2O7/c1-3-24-14-8-11(12(18(21)22)9-13(14)23-2)16(20)25-10-15(19)17-6-4-5-7-17/h8-9H,3-7,10H2,1-2H3