methyl 4-(2-methoxy-5-nitro-phenoxy)-3-methyl-butanoate

Systemtic Name: methyl 4-(2-methoxy-5-nitro-phenoxy)-3-methyl-butanoate Openeye Name: methyl 4-(2-methoxy-5-nitro-phenoxy)-3-methyl-butanoate CAS Name: 4-(2-methoxy-5-nitrophenoxy)-3-methylbutanoic acid methyl ester IUPAC Name: methyl 4-(2-methoxy-5-nitrophenoxy)-3-methylbutanoate Traditional Name: 4-(2-methoxy-5-nitro-phenoxy)-3-methyl-butyric acid methyl ester Formula: C13H17NO6 MolecularWeight: 283.27718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO6/c1-9(6-13(15)19-3)8-20-12-7-10(14(16)17)4-5-11(12)18-2/h4-5,7,9H,6,8H2,1-3H3