methyl 2-nitro-3-(pyrrolidin-1-ylmethyl)benzoate

Systemtic Name: methyl 2-nitro-3-(pyrrolidin-1-ylmethyl)benzoate Openeye Name: methyl 2-nitro-3-(pyrrolidin-1-ylmethyl)benzoate CAS Name: 2-nitro-3-(1-pyrrolidinylmethyl)benzoic acid methyl ester IUPAC Name: methyl 2-nitro-3-(pyrrolidin-1-ylmethyl)benzoate Traditional Name: 2-nitro-3-(pyrrolidinomethyl)benzoic acid methyl ester Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)CN2CCCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)CN2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O4/c1-19-13(16)11-6-4-5-10(12(11)15(17)18)9-14-7-2-3-8-14/h4-6H,2-3,7-9H2,1H3