methyl 3-(5-methoxycarbonyl-3-nitro-2-oxidanyl-phenyl)-5-nitro-4-oxidanyl-benzoate

Systemtic Name: methyl 3-(5-methoxycarbonyl-3-nitro-2-oxidanyl-phenyl)-5-nitro-4-oxidanyl-benzoate Openeye Name: methyl 4-hydroxy-3-(2-hydroxy-5-methoxycarbonyl-3-nitro-phenyl)-5-nitro-benzoate CAS Name: 4-hydroxy-3-(2-hydroxy-5-methoxycarbonyl-3-nitrophenyl)-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-hydroxy-3-(2-hydroxy-5-methoxycarbonyl-3-nitrophenyl)-5-nitrobenzoate Traditional Name: 3-(5-carbomethoxy-2-hydroxy-3-nitro-phenyl)-4-hydroxy-5-nitro-benzoic acid methyl ester Formula: C16H12N2O10 MolecularWeight: 392.27388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)C2=CC(=CC(=C2O)[N+](=O)[O-])C(=O)OC)O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)C2=CC(=CC(=C2O)[N+](=O)[O-])C(=O)OC)O)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O10/c1-27-15(21)7-3-9(13(19)11(5-7)17(23)24)10-4-8(16(22)28-2)6-12(14(10)20)18(25)26/h3-6,19-20H,1-2H3