2-nitro-6-(2-phenylpropoxycarbonyl)benzoic acid

Systemtic Name: 2-nitro-6-(2-phenylpropoxycarbonyl)benzoic acid Openeye Name: 2-nitro-6-(2-phenylpropoxycarbonyl)benzoic acid CAS Name: 2-nitro-6-[oxo(2-phenylpropoxy)methyl]benzoic acid IUPAC Name: 2-nitro-6-(2-phenylpropoxycarbonyl)benzoic acid Traditional Name: 2-nitro-6-(2-phenylpropoxycarbonyl)benzoic acid Formula: C17H15NO6 MolecularWeight: 329.3041

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C17H15NO6/c1-11(12-6-3-2-4-7-12)10-24-17(21)13-8-5-9-14(18(22)23)15(13)16(19)20/h2-9,11H,10H2,1H3,(H,19,20)