3-[[4-[(4-dodecyl-2-nitro-phenyl)diazenyl]phenyl]-methyl-amino]propanoic acid

Systemtic Name: 3-[[4-[(4-dodecyl-2-nitro-phenyl)diazenyl]phenyl]-methyl-amino]propanoic acid Openeye Name: 3-[4-(4-dodecyl-2-nitro-phenyl)azo-N-methyl-anilino]propanoic acid CAS Name: 3-[4-(4-dodecyl-2-nitrophenyl)azo-N-methylanilino]propanoic acid IUPAC Name: 3-[4-[(4-dodecyl-2-nitrophenyl)diazenyl]-N-methylanilino]propanoic acid Traditional Name: 3-[4-(4-lauryl-2-nitro-phenyl)azo-N-methyl-anilino]propionic acid Formula: C28H40N4O4 MolecularWeight: 496.6416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C(C=C1)N=NC2=CC=C(C=C2)N(C)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C(C=C1)N=NC2=CC=C(C=C2)N(C)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C28H40N4O4/c1-3-4-5-6-7-8-9-10-11-12-13-23-14-19-26(27(22-23)32(35)36)30-29-24-15-17-25(18-16-24)31(2)21-20-28(33)34/h14-19,22H,3-13,20-21H2,1-2H3,(H,33,34)