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

Systemtic Name: 3-[[4-[(4-heptadecoxycarbonyl-2-nitro-phenyl)diazenyl]phenyl]amino]propanoic acid Openeye Name: 3-[4-(4-heptadecoxycarbonyl-2-nitro-phenyl)azoanilino]propanoic acid CAS Name: 3-[4-[4-[heptadecoxy(oxo)methyl]-2-nitrophenyl]azoanilino]propanoic acid IUPAC Name: 3-[4-[(4-heptadecoxycarbonyl-2-nitrophenyl)diazenyl]anilino]propanoic acid Traditional Name: 3-[4-(4-heptadecoxycarbonyl-2-nitro-phenyl)azoanilino]propionic acid Formula: C33H48N4O6 MolecularWeight: 596.75742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H48N4O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-43-33(40)27-17-22-30(31(26-27)37(41)42)36-35-29-20-18-28(19-21-29)34-24-23-32(38)39/h17-22,26,34H,2-16,23-25H2,1H3,(H,38,39)