3-nitro-4-[(2R)-octan-2-yl]oxy-benzoic acid

Systemtic Name: 3-nitro-4-[(2R)-octan-2-yl]oxy-benzoic acid Openeye Name: 4-[(1R)-1-methylheptoxy]-3-nitro-benzoic acid CAS Name: 3-nitro-4-[(2R)-octan-2-yl]oxybenzoic acid IUPAC Name: 3-nitro-4-[(2R)-octan-2-yl]oxybenzoic acid Traditional Name: 4-[(1R)-1-methylheptoxy]-3-nitro-benzoic acid Formula: C15H21NO5 MolecularWeight: 295.33094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCC[C@@H](C)OC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H21NO5/c1-3-4-5-6-7-11(2)21-14-9-8-12(15(17)18)10-13(14)16(19)20/h8-11H,3-7H2,1-2H3,(H,17,18)/t11-/m1/s1