3-nitro-4-[2-oxidanylidene-2-[[3-(oxolan-2-ylmethoxy)phenyl]amino]ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[[3-(oxolan-2-ylmethoxy)phenyl]amino]ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-[3-(tetrahydrofuran-2-ylmethoxy)anilino]ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-[3-(2-oxolanylmethoxy)anilino]ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-[3-(tetrahydrofurfuryloxy)anilino]ethyl]thio]-3-nitro-benzamide Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=CC=CC(=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)COC2=CC=CC(=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6S/c21-20(25)13-6-7-18(17(9-13)23(26)27)30-12-19(24)22-14-3-1-4-15(10-14)29-11-16-5-2-8-28-16/h1,3-4,6-7,9-10,16H,2,5,8,11-12H2,(H2,21,25)(H,22,24)