methyl 3,4,5-triacetyloxy-6-[(4Z)-4-(bromanylmethylidene)-6-nitro-cyclohexa-1,5-dien-1-yl]-6-oxidanyl-oxane-2-carboxylate

Systemtic Name: methyl 3,4,5-triacetyloxy-6-[(4Z)-4-(bromanylmethylidene)-6-nitro-cyclohexa-1,5-dien-1-yl]-6-oxidanyl-oxane-2-carboxylate Openeye Name: methyl 3,4,5-triacetoxy-6-[(4Z)-4-(bromomethylene)-6-nitro-cyclohexa-1,5-dien-1-yl]-6-hydroxy-tetrahydropyran-2-carboxylate CAS Name: 3,4,5-triacetyloxy-6-[(4Z)-4-(bromomethylidene)-6-nitro-1-cyclohexa-1,5-dienyl]-6-hydroxy-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl 3,4,5-triacetyloxy-6-[(4Z)-4-(bromomethylidene)-6-nitrocyclohexa-1,5-dien-1-yl]-6-hydroxyoxane-2-carboxylate Traditional Name: 3,4,5-triacetoxy-6-[(4Z)-4-(bromomethylene)-6-nitro-cyclohexa-1,5-dien-1-yl]-6-hydroxy-tetrahydropyran-2-carboxylic acid methyl ester Formula: C20H22BrNO12 MolecularWeight: 548.29218

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(C(OC1C(=O)OC)(C2=CCC(=CBr)C=C2[N+](=O)[O-])O)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC1C(C(C(OC1C(=O)OC)(C2=CC/C(=C/Br)/C=C2[N+](=O)[O-])O)OC(=O)C)OC(=O)C

InChI

InChI=1S/C20H22BrNO12/c1-9(23)31-15-16(32-10(2)24)18(33-11(3)25)20(27,34-17(15)19(26)30-4)13-6-5-12(8-21)7-14(13)22(28)29/h6-8,15-18,27H,5H2,1-4H3/b12-8-