5-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione

Systemtic Name: 5-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione Openeye Name: 5-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-3-(3-phenylpropyl)thiazolidine-2,4-dione CAS Name: 5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-3-(3-phenylpropyl)thiazolidine-2,4-dione IUPAC Name: 5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione Traditional Name: 5-(4-hydroxy-3-methoxy-5-nitro-benzylidene)-3-(3-phenylpropyl)thiazolidine-2,4-quinone Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)N(C(=O)S2)CCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)N(C(=O)S2)CCCC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O6S/c1-28-16-11-14(10-15(18(16)23)22(26)27)12-17-19(24)21(20(25)29-17)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12,23H,5,8-9H2,1H3