5-[3-(6-nitro-4-oxidanylidene-2H-1,3-benzoxazin-3-yl)propoxy]-3-(phenylmethyl)-1,3-thiazolidine-2,4-dione

Systemtic Name: 5-[3-(6-nitro-4-oxidanylidene-2H-1,3-benzoxazin-3-yl)propoxy]-3-(phenylmethyl)-1,3-thiazolidine-2,4-dione Openeye Name: 3-benzyl-5-[3-(6-nitro-4-oxo-2H-1,3-benzoxazin-3-yl)propoxy]thiazolidine-2,4-dione CAS Name: 5-[3-(6-nitro-4-oxo-2H-1,3-benzoxazin-3-yl)propoxy]-3-(phenylmethyl)thiazolidine-2,4-dione IUPAC Name: 3-benzyl-5-[3-(6-nitro-4-oxo-2H-1,3-benzoxazin-3-yl)propoxy]-1,3-thiazolidine-2,4-dione Traditional Name: 3-benzyl-5-[3-(4-keto-6-nitro-2H-1,3-benzoxazin-3-yl)propoxy]thiazolidine-2,4-quinone Formula: C21H19N3O7S MolecularWeight: 457.45646

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Descriptors Computed from Structure

Canonical SMILES:

C1N(C(=O)C2=C(O1)C=CC(=C2)[N+](=O)[O-])CCCOC3C(=O)N(C(=O)S3)CC4=CC=CC=C4

Isomeric SMILES

C1N(C(=O)C2=C(O1)C=CC(=C2)[N+](=O)[O-])CCCOC3C(=O)N(C(=O)S3)CC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O7S/c25-18-16-11-15(24(28)29)7-8-17(16)31-13-22(18)9-4-10-30-20-19(26)23(21(27)32-20)12-14-5-2-1-3-6-14/h1-3,5-8,11,20H,4,9-10,12-13H2