ethyl 5-[2-(3-ethoxycarbonyl-5-nitro-4-oxidanyl-phenyl)propan-2-yl]-3-nitro-2-oxidanyl-benzoate

Systemtic Name: ethyl 5-[2-(3-ethoxycarbonyl-5-nitro-4-oxidanyl-phenyl)propan-2-yl]-3-nitro-2-oxidanyl-benzoate Openeye Name: ethyl 5-[1-(3-ethoxycarbonyl-4-hydroxy-5-nitro-phenyl)-1-methyl-ethyl]-2-hydroxy-3-nitro-benzoate CAS Name: 5-[2-(3-ethoxycarbonyl-4-hydroxy-5-nitrophenyl)propan-2-yl]-2-hydroxy-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 5-[2-(3-ethoxycarbonyl-4-hydroxy-5-nitrophenyl)propan-2-yl]-2-hydroxy-3-nitrobenzoate Traditional Name: 5-[1-(3-carbethoxy-4-hydroxy-5-nitro-phenyl)-1-methyl-ethyl]-2-hydroxy-3-nitro-benzoic acid ethyl ester Formula: C21H22N2O10 MolecularWeight: 462.40678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1O)[N+](=O)[O-])C(C)(C)C2=CC(=C(C(=C2)C(=O)OCC)O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1O)[N+](=O)[O-])C(C)(C)C2=CC(=C(C(=C2)C(=O)OCC)O)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O10/c1-5-32-19(26)13-7-11(9-15(17(13)24)22(28)29)21(3,4)12-8-14(20(27)33-6-2)18(25)16(10-12)23(30)31/h7-10,24-25H,5-6H2,1-4H3