methyl 3,5-dinitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3,5-dinitro-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3,5-dinitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3,5-dinitro-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3,5-dinitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3,5-dinitro-4-pyrrolidino-benzoic acid methyl ester Formula: C12H13N3O6 MolecularWeight: 295.24812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O6/c1-21-12(16)8-6-9(14(17)18)11(10(7-8)15(19)20)13-4-2-3-5-13/h6-7H,2-5H2,1H3