ethyl 4-[2-(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-nitro-benzoate

Systemtic Name: ethyl 4-[2-(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-nitro-benzoate Openeye Name: ethyl 4-[2-(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-3-nitro-benzoate CAS Name: 4-[2-(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-nitrobenzoate Traditional Name: 4-(2-keto-5-methylol-pyrrolidino)-3-nitro-benzoic acid ethyl ester Formula: C14H16N2O6 MolecularWeight: 308.28664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2C(CCC2=O)CO)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2C(CCC2=O)CO)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O6/c1-2-22-14(19)9-3-5-11(12(7-9)16(20)21)15-10(8-17)4-6-13(15)18/h3,5,7,10,17H,2,4,6,8H2,1H3