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

Systemtic Name: methyl 3,4,5-triacetyloxy-6-[(4Z)-4-(bromanylmethylidene)-2-nitro-cyclohexa-2,5-dien-1-yl]oxy-oxane-2-carboxylate Openeye Name: methyl 3,4,5-triacetoxy-6-[(4Z)-4-(bromomethylene)-2-nitro-cyclohexa-2,5-dien-1-yl]oxy-tetrahydropyran-2-carboxylate CAS Name: 3,4,5-triacetyloxy-6-[[(4Z)-4-(bromomethylidene)-2-nitro-1-cyclohexa-2,5-dienyl]oxy]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl 3,4,5-triacetyloxy-6-[(4Z)-4-(bromomethylidene)-2-nitrocyclohexa-2,5-dien-1-yl]oxyoxane-2-carboxylate Traditional Name: 3,4,5-triacetoxy-6-[(4Z)-4-(bromomethylene)-2-nitro-cyclohexa-2,5-dien-1-yl]oxy-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(OC(C1OC(=O)C)OC2C=CC(=CBr)C=C2[N+](=O)[O-])C(=O)OC)OC(=O)C

Isomeric SMILES

CC(=O)OC1C(C(OC(C1OC(=O)C)OC2C=C/C(=C/Br)/C=C2[N+](=O)[O-])C(=O)OC)OC(=O)C

InChI

InChI=1S/C20H22BrNO12/c1-9(23)30-15-16(31-10(2)24)18(32-11(3)25)20(34-17(15)19(26)29-4)33-14-6-5-12(8-21)7-13(14)22(27)28/h5-8,14-18,20H,1-4H3/b12-8-