2-(2-ethoxyethoxycarbonyl)-3-nitro-benzoic acid

Systemtic Name: 2-(2-ethoxyethoxycarbonyl)-3-nitro-benzoic acid Openeye Name: 2-(2-ethoxyethoxycarbonyl)-3-nitro-benzoic acid CAS Name: 2-[2-ethoxyethoxy(oxo)methyl]-3-nitrobenzoic acid IUPAC Name: 2-(2-ethoxyethoxycarbonyl)-3-nitrobenzoic acid Traditional Name: 2-(2-ethoxyethoxycarbonyl)-3-nitro-benzoic acid Formula: C12H13NO7 MolecularWeight: 283.23412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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