methyl 3-[4-(methoxymethoxy)-3-nitro-phenyl]-4-nitro-butanoate

Systemtic Name: methyl 3-[4-(methoxymethoxy)-3-nitro-phenyl]-4-nitro-butanoate Openeye Name: methyl 3-[4-(methoxymethoxy)-3-nitro-phenyl]-4-nitro-butanoate CAS Name: 3-[4-(methoxymethoxy)-3-nitrophenyl]-4-nitrobutanoic acid methyl ester IUPAC Name: methyl 3-[4-(methoxymethoxy)-3-nitrophenyl]-4-nitrobutanoate Traditional Name: 3-[4-(methoxymethoxy)-3-nitro-phenyl]-4-nitro-butyric acid methyl ester Formula: C13H16N2O8 MolecularWeight: 328.27474

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Descriptors Computed from Structure

Canonical SMILES:

COCOC1=C(C=C(C=C1)C(CC(=O)OC)C[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COCOC1=C(C=C(C=C1)C(CC(=O)OC)C[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O8/c1-21-8-23-12-4-3-9(5-11(12)15(19)20)10(7-14(17)18)6-13(16)22-2/h3-5,10H,6-8H2,1-2H3