methyl 5-methoxy-4-[3-(2-methoxy-4-methoxycarbonyl-5-nitro-phenoxy)propoxy]-2-nitro-benzoate

Systemtic Name: methyl 5-methoxy-4-[3-(2-methoxy-4-methoxycarbonyl-5-nitro-phenoxy)propoxy]-2-nitro-benzoate Openeye Name: methyl 5-methoxy-4-[3-(2-methoxy-4-methoxycarbonyl-5-nitro-phenoxy)propoxy]-2-nitro-benzoate CAS Name: 5-methoxy-4-[3-(2-methoxy-4-methoxycarbonyl-5-nitrophenoxy)propoxy]-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-methoxy-4-[3-(2-methoxy-4-methoxycarbonyl-5-nitrophenoxy)propoxy]-2-nitrobenzoate Traditional Name: 4-[3-(4-carbomethoxy-2-methoxy-5-nitro-phenoxy)propoxy]-5-methoxy-2-nitro-benzoic acid methyl ester Formula: C21H22N2O12 MolecularWeight: 494.40558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)[N+](=O)[O-])OCCCOC2=C(C=C(C(=C2)[N+](=O)[O-])C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)[N+](=O)[O-])OCCCOC2=C(C=C(C(=C2)[N+](=O)[O-])C(=O)OC)OC

InChI

InChI=1S/C21H22N2O12/c1-30-16-8-12(20(24)32-3)14(22(26)27)10-18(16)34-6-5-7-35-19-11-15(23(28)29)13(21(25)33-4)9-17(19)31-2/h8-11H,5-7H2,1-4H3