(2-methoxy-2-oxidanylidene-ethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (2-methoxy-2-oxo-ethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (2-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (2-keto-2-methoxy-ethyl) ester Formula: C14H16N2O6 MolecularWeight: 308.28664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O6/c1-21-13(17)9-22-14(18)10-4-5-11(12(8-10)16(19)20)15-6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3