methyl 3-nitro-5-pyrrolidin-1-ylcarbonyl-benzoate

Systemtic Name: methyl 3-nitro-5-pyrrolidin-1-ylcarbonyl-benzoate Openeye Name: methyl 3-nitro-5-(pyrrolidine-1-carbonyl)benzoate CAS Name: 3-nitro-5-[oxo(1-pyrrolidinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-(pyrrolidine-1-carbonyl)benzoate Traditional Name: 3-nitro-5-(pyrrolidine-1-carbonyl)benzoic acid methyl ester Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O5/c1-20-13(17)10-6-9(7-11(8-10)15(18)19)12(16)14-4-2-3-5-14/h6-8H,2-5H2,1H3