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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3-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-nitro-phenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(4-hydroxy-3-nitro-benzylidene)thiazolidine-2,4-quinone Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)C(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])SC2=O

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)C(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])SC2=O

InChI

InChI=1S/C18H19N3O6S/c22-14-6-5-12(9-13(14)21(26)27)10-15-17(24)20(18(25)28-15)11-16(23)19-7-3-1-2-4-8-19/h5-6,9-10,22H,1-4,7-8,11H2