3-nitro-2-(2-phenylpentan-3-yloxycarbonyl)benzoic acid

Systemtic Name: 3-nitro-2-(2-phenylpentan-3-yloxycarbonyl)benzoic acid Openeye Name: 2-(1-ethyl-2-phenyl-propoxy)carbonyl-3-nitro-benzoic acid CAS Name: 3-nitro-2-[oxo(2-phenylpentan-3-yloxy)methyl]benzoic acid IUPAC Name: 3-nitro-2-(2-phenylpentan-3-yloxycarbonyl)benzoic acid Traditional Name: 2-(1-ethyl-2-phenyl-propoxy)carbonyl-3-nitro-benzoic acid Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO6/c1-3-16(12(2)13-8-5-4-6-9-13)26-19(23)17-14(18(21)22)10-7-11-15(17)20(24)25/h4-12,16H,3H2,1-2H3,(H,21,22)