2-[(2,4-dinitrophenyl)amino]octanoic acid

Systemtic Name: 2-[(2,4-dinitrophenyl)amino]octanoic acid Openeye Name: 2-(2,4-dinitroanilino)octanoic acid CAS Name: 2-(2,4-dinitroanilino)octanoic acid IUPAC Name: 2-(2,4-dinitroanilino)octanoic acid Traditional Name: 2-(2,4-dinitroanilino)caprylic acid Formula: C14H19N3O6 MolecularWeight: 325.31716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O6/c1-2-3-4-5-6-12(14(18)19)15-11-8-7-10(16(20)21)9-13(11)17(22)23/h7-9,12,15H,2-6H2,1H3,(H,18,19)