3-(2-methylpropoxy)-5-nitro-4-(phenylcarbonyl)benzoic acid

Systemtic Name: 3-(2-methylpropoxy)-5-nitro-4-(phenylcarbonyl)benzoic acid Openeye Name: 4-benzoyl-3-isobutoxy-5-nitro-benzoic acid CAS Name: 4-benzoyl-3-(2-methylpropoxy)-5-nitrobenzoic acid IUPAC Name: 4-benzoyl-3-(2-methylpropoxy)-5-nitrobenzoic acid Traditional Name: 4-benzoyl-3-isobutoxy-5-nitro-benzoic acid Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)COC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H17NO6/c1-11(2)10-25-15-9-13(18(21)22)8-14(19(23)24)16(15)17(20)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,21,22)