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

Systemtic Name: methyl 5-[(3-methoxycarbonyl-5-nitro-4-oxidanyl-phenyl)methyl]-3-nitro-2-oxidanyl-benzoate Openeye Name: methyl 2-hydroxy-5-[(4-hydroxy-3-methoxycarbonyl-5-nitro-phenyl)methyl]-3-nitro-benzoate CAS Name: 2-hydroxy-5-[(4-hydroxy-3-methoxycarbonyl-5-nitrophenyl)methyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-5-[(4-hydroxy-3-methoxycarbonyl-5-nitrophenyl)methyl]-3-nitrobenzoate Traditional Name: 5-(3-carbomethoxy-4-hydroxy-5-nitro-benzyl)-2-hydroxy-3-nitro-benzoic acid methyl ester Formula: C17H14N2O10 MolecularWeight: 406.30046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1O)[N+](=O)[O-])CC2=CC(=C(C(=C2)C(=O)OC)O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1O)[N+](=O)[O-])CC2=CC(=C(C(=C2)C(=O)OC)O)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O10/c1-28-16(22)10-4-8(6-12(14(10)20)18(24)25)3-9-5-11(17(23)29-2)15(21)13(7-9)19(26)27/h4-7,20-21H,3H2,1-2H3