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

Systemtic Name: 3-[[4-[(4-dodecoxycarbonyl-2-nitro-phenyl)diazenyl]phenyl]-ethyl-amino]propanoic acid Openeye Name: 3-[4-(4-dodecoxycarbonyl-2-nitro-phenyl)azo-N-ethyl-anilino]propanoic acid CAS Name: 3-[4-[4-[dodecoxy(oxo)methyl]-2-nitrophenyl]azo-N-ethylanilino]propanoic acid IUPAC Name: 3-[4-[(4-dodecoxycarbonyl-2-nitrophenyl)diazenyl]-N-ethylanilino]propanoic acid Traditional Name: 3-[N-ethyl-4-(4-lauryloxycarbonyl-2-nitro-phenyl)azo-anilino]propionic acid Formula: C30H42N4O6 MolecularWeight: 554.67768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H42N4O6/c1-3-5-6-7-8-9-10-11-12-13-22-40-30(37)24-14-19-27(28(23-24)34(38)39)32-31-25-15-17-26(18-16-25)33(4-2)21-20-29(35)36/h14-19,23H,3-13,20-22H2,1-2H3,(H,35,36)