3-nitro-4-octoxycarbonyl-benzoic acid

Systemtic Name: 3-nitro-4-octoxycarbonyl-benzoic acid Openeye Name: 3-nitro-4-octoxycarbonyl-benzoic acid CAS Name: 3-nitro-4-[octoxy(oxo)methyl]benzoic acid IUPAC Name: 3-nitro-4-octoxycarbonylbenzoic acid Traditional Name: 3-nitro-4-octoxycarbonyl-benzoic acid Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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