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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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