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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(4-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=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3

InChI

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