(5-methyl-2-oxidanylidene-oxolan-3-yl) 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (5-methyl-2-oxidanylidene-oxolan-3-yl) 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (5-methyl-2-oxo-tetrahydrofuran-3-yl) 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (5-methyl-2-oxo-3-oxolanyl) ester IUPAC Name: (5-methyl-2-oxooxolan-3-yl) 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (2-keto-5-methyl-tetrahydrofuran-3-yl) ester Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)O1)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CC(C(=O)O1)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O6/c1-10-8-14(16(20)23-10)24-15(19)11-4-5-12(13(9-11)18(21)22)17-6-2-3-7-17/h4-5,9-10,14H,2-3,6-8H2,1H3