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

Systemtic Name: 5-[(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione Openeye Name: 5-[(4-benzyloxy-5-methoxy-2-nitro-phenyl)methylene]-3-prop-2-ynyl-thiazolidine-2,4-dione CAS Name: 5-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylidene]-3-prop-2-ynylthiazolidine-2,4-dione IUPAC Name: 5-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione Traditional Name: 5-(4-benzoxy-5-methoxy-2-nitro-benzylidene)-3-propargyl-thiazolidine-2,4-quinone Formula: C21H16N2O6S MolecularWeight: 424.42654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O6S/c1-3-9-22-20(24)19(30-21(22)25)11-15-10-17(28-2)18(12-16(15)23(26)27)29-13-14-7-5-4-6-8-14/h1,4-8,10-12H,9,13H2,2H3