6-(4-nitro-3-phenylazanyl-phenoxy)hexanoic acid

Systemtic Name: 6-(4-nitro-3-phenylazanyl-phenoxy)hexanoic acid Openeye Name: 6-(3-anilino-4-nitro-phenoxy)hexanoic acid CAS Name: 6-(3-anilino-4-nitrophenoxy)hexanoic acid IUPAC Name: 6-(3-anilino-4-nitrophenoxy)hexanoic acid Traditional Name: 6-(3-anilino-4-nitro-phenoxy)hexanoic acid Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=CC(=C2)OCCCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=CC(=C2)OCCCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O5/c21-18(22)9-5-2-6-12-25-15-10-11-17(20(23)24)16(13-15)19-14-7-3-1-4-8-14/h1,3-4,7-8,10-11,13,19H,2,5-6,9,12H2,(H,21,22)