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

Systemtic Name: 3-[[4-[(4-heptadecyl-2-nitro-phenyl)diazenyl]phenyl]-methyl-amino]propanoic acid Openeye Name: 3-[4-(4-heptadecyl-2-nitro-phenyl)azo-N-methyl-anilino]propanoic acid CAS Name: 3-[4-(4-heptadecyl-2-nitrophenyl)azo-N-methylanilino]propanoic acid IUPAC Name: 3-[4-[(4-heptadecyl-2-nitrophenyl)diazenyl]-N-methylanilino]propanoic acid Traditional Name: 3-[4-(4-heptadecyl-2-nitro-phenyl)azo-N-methyl-anilino]propionic acid Formula: C33H50N4O4 MolecularWeight: 566.7745

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=CC(=C(C=C1)N=NC2=CC=C(C=C2)N(C)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=CC(=C(C=C1)N=NC2=CC=C(C=C2)N(C)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C33H50N4O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-19-24-31(32(27-28)37(40)41)35-34-29-20-22-30(23-21-29)36(2)26-25-33(38)39/h19-24,27H,3-18,25-26H2,1-2H3,(H,38,39)