4-[4-(2-methylbutoxy)-3-nitro-phenyl]benzoic acid

Systemtic Name: 4-[4-(2-methylbutoxy)-3-nitro-phenyl]benzoic acid Openeye Name: 4-[4-(2-methylbutoxy)-3-nitro-phenyl]benzoic acid CAS Name: 4-[4-(2-methylbutoxy)-3-nitrophenyl]benzoic acid IUPAC Name: 4-[4-(2-methylbutoxy)-3-nitrophenyl]benzoic acid Traditional Name: 4-[4-(2-methylbutoxy)-3-nitro-phenyl]benzoic acid Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCC(C)COC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H19NO5/c1-3-12(2)11-24-17-9-8-15(10-16(17)19(22)23)13-4-6-14(7-5-13)18(20)21/h4-10,12H,3,11H2,1-2H3,(H,20,21)