3-oxidanylidenebutan-2-yl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (1-methyl-2-oxo-propyl) 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (2-keto-1-methyl-propyl) ester Formula: C15H18N2O5 MolecularWeight: 306.31382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O5/c1-10(18)11(2)22-15(19)12-5-6-13(14(9-12)17(20)21)16-7-3-4-8-16/h5-6,9,11H,3-4,7-8H2,1-2H3