5-nitro-2-(phenylcarbonyl)-3-propoxy-benzoic acid

Systemtic Name: 5-nitro-2-(phenylcarbonyl)-3-propoxy-benzoic acid Openeye Name: 2-benzoyl-5-nitro-3-propoxy-benzoic acid CAS Name: 2-benzoyl-5-nitro-3-propoxybenzoic acid IUPAC Name: 2-benzoyl-5-nitro-3-propoxybenzoic acid Traditional Name: 2-benzoyl-5-nitro-3-propoxy-benzoic acid Formula: C17H15NO6 MolecularWeight: 329.3041

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(=CC(=C1)[N+](=O)[O-])C(=O)O)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCOC1=C(C(=CC(=C1)[N+](=O)[O-])C(=O)O)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H15NO6/c1-2-8-24-14-10-12(18(22)23)9-13(17(20)21)15(14)16(19)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,20,21)