3,4,5-trimethoxy-2-methyl-6-nitro-benzoic acid

Systemtic Name: 3,4,5-trimethoxy-2-methyl-6-nitro-benzoic acid Openeye Name: 3,4,5-trimethoxy-2-methyl-6-nitro-benzoic acid CAS Name: 3,4,5-trimethoxy-2-methyl-6-nitrobenzoic acid IUPAC Name: 3,4,5-trimethoxy-2-methyl-6-nitrobenzoic acid Traditional Name: 3,4,5-trimethoxy-2-methyl-6-nitro-benzoic acid Formula: C11H13NO7 MolecularWeight: 271.22342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1OC)OC)OC)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(=C(C(=C1OC)OC)OC)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H13NO7/c1-5-6(11(13)14)7(12(15)16)9(18-3)10(19-4)8(5)17-2/h1-4H3,(H,13,14)