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

Systemtic Name: 2-(2-methylpropoxycarbonyl)-3-nitro-benzoic acid Openeye Name: 2-isobutoxycarbonyl-3-nitro-benzoic acid CAS Name: 2-[2-methylpropoxy(oxo)methyl]-3-nitrobenzoic acid IUPAC Name: 2-(2-methylpropoxycarbonyl)-3-nitrobenzoic acid Traditional Name: 2-isobutoxycarbonyl-3-nitro-benzoic acid Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO6/c1-7(2)6-19-12(16)10-8(11(14)15)4-3-5-9(10)13(17)18/h3-5,7H,6H2,1-2H3,(H,14,15)