5-azanyl-2-nitro-4-octoxy-benzoic acid

Systemtic Name: 5-azanyl-2-nitro-4-octoxy-benzoic acid Openeye Name: 5-amino-2-nitro-4-octoxy-benzoic acid CAS Name: 5-amino-2-nitro-4-octoxybenzoic acid IUPAC Name: 5-amino-2-nitro-4-octoxybenzoic acid Traditional Name: 5-amino-2-nitro-4-octoxy-benzoic acid Formula: C15H22N2O5 MolecularWeight: 310.34558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)O)N

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)O)N

InChI

InChI=1S/C15H22N2O5/c1-2-3-4-5-6-7-8-22-14-10-13(17(20)21)11(15(18)19)9-12(14)16/h9-10H,2-8,16H2,1H3,(H,18,19)