dimethyl 2-(6-bromanyl-1-methoxycarbonyl-2-oxidanyl-5-phenylmethoxy-2H-indol-3-ylidene)propanedioate

Systemtic Name: dimethyl 2-(6-bromanyl-1-methoxycarbonyl-2-oxidanyl-5-phenylmethoxy-2H-indol-3-ylidene)propanedioate Openeye Name: dimethyl 2-(5-benzyloxy-6-bromo-2-hydroxy-1-methoxycarbonyl-indolin-3-ylidene)propanedioate CAS Name: 2-(6-bromo-2-hydroxy-1-methoxycarbonyl-5-phenylmethoxy-2H-indol-3-ylidene)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(6-bromo-2-hydroxy-1-methoxycarbonyl-5-phenylmethoxy-2H-indol-3-ylidene)propanedioate Traditional Name: 2-(5-benzoxy-6-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=CC(=C(C=C21)OCC3=CC=CC=C3)Br)C(=O)OC)O)C(=O)OC

Isomeric SMILES

COC(=O)C(=C1C(N(C2=CC(=C(C=C21)OCC3=CC=CC=C3)Br)C(=O)OC)O)C(=O)OC

InChI

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