3-nitro-2-octoxycarbonyl-benzoic acid

Systemtic Name: 3-nitro-2-octoxycarbonyl-benzoic acid Openeye Name: 3-nitro-2-octoxycarbonyl-benzoic acid CAS Name: 3-nitro-2-[octoxy(oxo)methyl]benzoic acid IUPAC Name: 3-nitro-2-octoxycarbonylbenzoic acid Traditional Name: 3-nitro-2-octoxycarbonyl-benzoic acid Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(C=CC=C1[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(C=CC=C1[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H21NO6/c1-2-3-4-5-6-7-11-23-16(20)14-12(15(18)19)9-8-10-13(14)17(21)22/h8-10H,2-7,11H2,1H3,(H,18,19)