2-[5-methoxy-1-methyl-4,7-bis(oxidanylidene)indol-2-yl]but-3-enyl phenyl carbonate; phenyl carbonate

Systemtic Name: 2-[5-methoxy-1-methyl-4,7-bis(oxidanylidene)indol-2-yl]but-3-enyl phenyl carbonate; phenyl carbonate Openeye Name: 2-(5-methoxy-1-methyl-4,7-dioxo-indol-2-yl)but-3-enyl phenyl carbonate; phenyl carbonate CAS Name: carbonic acid 2-(5-methoxy-1-methyl-4,7-dioxo-2-indolyl)but-3-enyl phenyl ester; phenyl carbonate IUPAC Name: 2-(5-methoxy-1-methyl-4,7-dioxoindol-2-yl)but-3-enyl phenyl carbonate; phenyl carbonate Traditional Name: carbonic acid 2-(4,7-diketo-5-methoxy-1-methyl-indol-2-yl)but-3-enyl phenyl ester; phenyl carbonate Formula: C28H24NO9- MolecularWeight: 518.49146

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C1C(=O)C=C(C2=O)OC)C(COC(=O)OC3=CC=CC=C3)C=C.C1=CC=C(C=C1)OC(=O)[O-]

Isomeric SMILES

CN1C(=CC2=C1C(=O)C=C(C2=O)OC)C(COC(=O)OC3=CC=CC=C3)C=C.C1=CC=C(C=C1)OC(=O)[O-]

InChI

InChI=1S/C21H19NO6.C7H6O3/c1-4-13(12-27-21(25)28-14-8-6-5-7-9-14)16-10-15-19(22(16)2)17(23)11-18(26-3)20(15)24;8-7(9)10-6-4-2-1-3-5-6/h4-11,13H,1,12H2,2-3H3;1-5H,(H,8,9)/p-1