4-[[4-[ethyl(hexyl)amino]phenyl]diazenyl]-3-nitro-benzoic acid

Systemtic Name: 4-[[4-[ethyl(hexyl)amino]phenyl]diazenyl]-3-nitro-benzoic acid Openeye Name: 4-[4-[ethyl(hexyl)amino]phenyl]azo-3-nitro-benzoic acid CAS Name: 4-[4-[ethyl(hexyl)amino]phenyl]azo-3-nitrobenzoic acid IUPAC Name: 4-[[4-[ethyl(hexyl)amino]phenyl]diazenyl]-3-nitrobenzoic acid Traditional Name: 4-[4-[ethyl(hexyl)amino]phenyl]azo-3-nitro-benzoic acid Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4/c1-3-5-6-7-14-24(4-2)18-11-9-17(10-12-18)22-23-19-13-8-16(21(26)27)15-20(19)25(28)29/h8-13,15H,3-7,14H2,1-2H3,(H,26,27)