(4-oxidanylidene-4-thiophen-2-yl-butyl) 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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