dimethyl 2-(4-bromanyl-1-methoxycarbonyl-2-oxidanyl-5-phenylmethoxy-2H-indol-3-ylidene)propanedioate

Systemtic Name: dimethyl 2-(4-bromanyl-1-methoxycarbonyl-2-oxidanyl-5-phenylmethoxy-2H-indol-3-ylidene)propanedioate Openeye Name: dimethyl 2-(5-benzyloxy-4-bromo-2-hydroxy-1-methoxycarbonyl-indolin-3-ylidene)propanedioate CAS Name: 2-(4-bromo-2-hydroxy-1-methoxycarbonyl-5-phenylmethoxy-2H-indol-3-ylidene)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(4-bromo-2-hydroxy-1-methoxycarbonyl-5-phenylmethoxy-2H-indol-3-ylidene)propanedioate Traditional Name: 2-(5-benzoxy-4-bromo-1-carbomethoxy-2-hydroxy-indolin-3-ylidene)malonic acid dimethyl ester Formula: C22H20BrNO8 MolecularWeight: 506.3001

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1C(N(C2=C1C(=C(C=C2)OCC3=CC=CC=C3)Br)C(=O)OC)O)C(=O)OC

Isomeric SMILES

COC(=O)C(=C1C(N(C2=C1C(=C(C=C2)OCC3=CC=CC=C3)Br)C(=O)OC)O)C(=O)OC

InChI

InChI=1S/C22H20BrNO8/c1-29-20(26)17(21(27)30-2)16-15-13(24(19(16)25)22(28)31-3)9-10-14(18(15)23)32-11-12-7-5-4-6-8-12/h4-10,19,25H,11H2,1-3H3