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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(4-methoxy-3-nitro-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(4-methoxy-3-nitro-phenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(4-methoxy-3-nitrophenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(4-methoxy-3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(4-methoxy-3-nitro-benzylidene)thiazolidine-2,4-quinone Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O6S/c1-28-15-7-6-13(10-14(15)22(26)27)11-16-18(24)21(19(25)29-16)12-17(23)20-8-4-2-3-5-9-20/h6-7,10-11H,2-5,8-9,12H2,1H3