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

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C17H18N2O5S MolecularWeight: 362.40022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCCCC(=O)C2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCCCC(=O)C2=CC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O5S/c1-18(2)13-8-7-12(11-14(13)19(22)23)17(21)24-9-3-5-15(20)16-6-4-10-25-16/h4,6-8,10-11H,3,5,9H2,1-2H3