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

Systemtic Name: 3-[[4-[(4-heptadecoxycarbonyl-2-nitro-phenyl)diazenyl]phenyl]-methyl-amino]propanoic acid Openeye Name: 3-[4-(4-heptadecoxycarbonyl-2-nitro-phenyl)azo-N-methyl-anilino]propanoic acid CAS Name: 3-[4-[4-[heptadecoxy(oxo)methyl]-2-nitrophenyl]azo-N-methylanilino]propanoic acid IUPAC Name: 3-[4-[(4-heptadecoxycarbonyl-2-nitrophenyl)diazenyl]-N-methylanilino]propanoic acid Traditional Name: 3-[4-(4-heptadecoxycarbonyl-2-nitro-phenyl)azo-N-methyl-anilino]propionic acid Formula: C34H50N4O6 MolecularWeight: 610.784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H50N4O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-44-34(41)28-18-23-31(32(27-28)38(42)43)36-35-29-19-21-30(22-20-29)37(2)25-24-33(39)40/h18-23,27H,3-17,24-26H2,1-2H3,(H,39,40)