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

Systemtic Name: methyl 4-[2,2-bis(hydroxymethyl)-5-oxidanylidene-pyrrolidin-3-yl]-3-nitro-benzoate Openeye Name: methyl 4-[2,2-bis(hydroxymethyl)-5-oxo-pyrrolidin-3-yl]-3-nitro-benzoate CAS Name: 4-[2,2-bis(hydroxymethyl)-5-oxo-3-pyrrolidinyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzoate Traditional Name: 4-(5-keto-2,2-dimethylol-pyrrolidin-3-yl)-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)C2CC(=O)NC2(CO)CO)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C2CC(=O)NC2(CO)CO)[N+](=O)[O-]

InChI

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