3-butoxy-5-nitro-4-(phenylcarbonyl)benzoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCOC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H17NO6/c1-2-3-9-25-15-11-13(18(21)22)10-14(19(23)24)16(15)17(20)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,21,22)