5-[2-(8-nitro-4-oxidanylidene-2H-1,3-benzoxazin-3-yl)ethoxy]-3-(phenylmethyl)-1,3-thiazolidine-2,4-dione

Systemtic Name: 5-[2-(8-nitro-4-oxidanylidene-2H-1,3-benzoxazin-3-yl)ethoxy]-3-(phenylmethyl)-1,3-thiazolidine-2,4-dione Openeye Name: 3-benzyl-5-[2-(8-nitro-4-oxo-2H-1,3-benzoxazin-3-yl)ethoxy]thiazolidine-2,4-dione CAS Name: 5-[2-(8-nitro-4-oxo-2H-1,3-benzoxazin-3-yl)ethoxy]-3-(phenylmethyl)thiazolidine-2,4-dione IUPAC Name: 3-benzyl-5-[2-(8-nitro-4-oxo-2H-1,3-benzoxazin-3-yl)ethoxy]-1,3-thiazolidine-2,4-dione Traditional Name: 3-benzyl-5-[2-(4-keto-8-nitro-2H-1,3-benzoxazin-3-yl)ethoxy]thiazolidine-2,4-quinone Formula: C20H17N3O7S MolecularWeight: 443.42988

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Descriptors Computed from Structure

Canonical SMILES:

C1N(C(=O)C2=C(O1)C(=CC=C2)[N+](=O)[O-])CCOC3C(=O)N(C(=O)S3)CC4=CC=CC=C4

Isomeric SMILES

C1N(C(=O)C2=C(O1)C(=CC=C2)[N+](=O)[O-])CCOC3C(=O)N(C(=O)S3)CC4=CC=CC=C4

InChI

InChI=1S/C20H17N3O7S/c24-17-14-7-4-8-15(23(27)28)16(14)30-12-21(17)9-10-29-19-18(25)22(20(26)31-19)11-13-5-2-1-3-6-13/h1-8,19H,9-12H2