(4-oxidanylidene-4-thiophen-2-yl-butyl) 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C19H20N2O5S/c22-17(18-6-4-12-27-18)5-3-11-26-19(23)15-13-14(21(24)25)7-8-16(15)20-9-1-2-10-20/h4,6-8,12-13H,1-3,5,9-11H2