3-(4-methanoyl-2-methoxy-5-nitro-phenoxy)-2-methyl-propanoic acid

Systemtic Name: 3-(4-methanoyl-2-methoxy-5-nitro-phenoxy)-2-methyl-propanoic acid Openeye Name: 3-(4-formyl-2-methoxy-5-nitro-phenoxy)-2-methyl-propanoic acid CAS Name: 3-(4-formyl-2-methoxy-5-nitrophenoxy)-2-methylpropanoic acid IUPAC Name: 3-(4-formyl-2-methoxy-5-nitrophenoxy)-2-methylpropanoic acid Traditional Name: 3-(4-formyl-2-methoxy-5-nitro-phenoxy)-2-methyl-propionic acid Formula: C12H13NO7 MolecularWeight: 283.23412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO7/c1-7(12(15)16)6-20-11-4-9(13(17)18)8(5-14)3-10(11)19-2/h3-5,7H,6H2,1-2H3,(H,15,16)