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

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OCCCC(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCCCC(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6S/c22-17(18-4-2-12-28-18)3-1-9-27-19(23)14-5-6-15(16(13-14)21(24)25)20-7-10-26-11-8-20/h2,4-6,12-13H,1,3,7-11H2