3-nitramido-4-octoxycarbonyl-benzoic acid

Systemtic Name: 3-nitramido-4-octoxycarbonyl-benzoic acid Openeye Name: 3-nitramido-4-octoxycarbonyl-benzoic acid CAS Name: 3-nitramido-4-[octoxy(oxo)methyl]benzoic acid IUPAC Name: 3-nitramido-4-octoxycarbonylbenzoic acid Traditional Name: 3-nitramido-4-octoxycarbonyl-benzoic acid Formula: C16H22N2O6 MolecularWeight: 338.35568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6/c1-2-3-4-5-6-7-10-24-16(21)13-9-8-12(15(19)20)11-14(13)17-18(22)23/h8-9,11,17H,2-7,10H2,1H3,(H,19,20)