3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3-methoxy-5-nitro-2-oxidanyl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3-methoxy-5-nitro-2-oxidanyl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(2-hydroxy-3-methoxy-5-nitro-phenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(2-hydroxy-3-methoxy-5-nitro-benzylidene)thiazolidine-2,4-quinone Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)O

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)O

InChI

InChI=1S/C19H21N3O7S/c1-29-14-10-13(22(27)28)8-12(17(14)24)9-15-18(25)21(19(26)30-15)11-16(23)20-6-4-2-3-5-7-20/h8-10,24H,2-7,11H2,1H3