5-[[3-chloranyl-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione

Systemtic Name: 5-[[3-chloranyl-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione Openeye Name: 5-[[3-chloro-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylene]-3-prop-2-ynyl-thiazolidine-2,4-dione CAS Name: 5-[[3-chloro-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-3-prop-2-ynylthiazolidine-2,4-dione IUPAC Name: 5-[[3-chloro-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione Traditional Name: 5-[3-chloro-5-methoxy-4-(3-nitrobenzyl)oxy-benzylidene]-3-propargyl-thiazolidine-2,4-quinone Formula: C21H15ClN2O6S MolecularWeight: 458.8716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC#C)Cl)OCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC#C)Cl)OCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H15ClN2O6S/c1-3-7-23-20(25)18(31-21(23)26)11-14-9-16(22)19(17(10-14)29-2)30-12-13-5-4-6-15(8-13)24(27)28/h1,4-6,8-11H,7,12H2,2H3