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

Systemtic Name: methyl 4-[2,2-bis(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-nitro-benzoate Openeye Name: methyl 4-[2,2-bis(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-3-nitro-benzoate CAS Name: 4-[2,2-bis(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-nitrobenzoate Traditional Name: 4-(5-keto-2,2-dimethylol-pyrrolidino)-3-nitro-benzoic acid methyl ester Formula: C14H16N2O7 MolecularWeight: 324.28604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O7/c1-23-13(20)9-2-3-10(11(6-9)16(21)22)15-12(19)4-5-14(15,7-17)8-18/h2-3,6,17-18H,4-5,7-8H2,1H3