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

Systemtic Name: 3-(2-ethylphenoxy)-5-nitro-4-(phenylcarbonyl)benzoic acid Openeye Name: 4-benzoyl-3-(2-ethylphenoxy)-5-nitro-benzoic acid CAS Name: 4-benzoyl-3-(2-ethylphenoxy)-5-nitrobenzoic acid IUPAC Name: 4-benzoyl-3-(2-ethylphenoxy)-5-nitrobenzoic acid Traditional Name: 4-benzoyl-3-(2-ethylphenoxy)-5-nitro-benzoic acid Formula: C22H17NO6 MolecularWeight: 391.37348

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1OC2=CC(=CC(=C2C(=O)C3=CC=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC1=CC=CC=C1OC2=CC(=CC(=C2C(=O)C3=CC=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H17NO6/c1-2-14-8-6-7-11-18(14)29-19-13-16(22(25)26)12-17(23(27)28)20(19)21(24)15-9-4-3-5-10-15/h3-13H,2H2,1H3,(H,25,26)