3-butoxy-4-(4-methylphenyl)carbonyl-5-nitro-benzoic acid

Systemtic Name: 3-butoxy-4-(4-methylphenyl)carbonyl-5-nitro-benzoic acid Openeye Name: 3-butoxy-4-(4-methylbenzoyl)-5-nitro-benzoic acid CAS Name: 3-butoxy-4-[(4-methylphenyl)-oxomethyl]-5-nitrobenzoic acid IUPAC Name: 3-butoxy-4-(4-methylbenzoyl)-5-nitrobenzoic acid Traditional Name: 3-butoxy-5-nitro-4-p-toluoyl-benzoic acid Formula: C19H19NO6 MolecularWeight: 357.35726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO6/c1-3-4-9-26-16-11-14(19(22)23)10-15(20(24)25)17(16)18(21)13-7-5-12(2)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,23)