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

Systemtic Name: 3-[[4-[(4-dodecoxycarbonyl-2-nitro-phenyl)diazenyl]phenyl]-methyl-amino]propanoic acid Openeye Name: 3-[4-(4-dodecoxycarbonyl-2-nitro-phenyl)azo-N-methyl-anilino]propanoic acid CAS Name: 3-[4-[4-[dodecoxy(oxo)methyl]-2-nitrophenyl]azo-N-methylanilino]propanoic acid IUPAC Name: 3-[4-[(4-dodecoxycarbonyl-2-nitrophenyl)diazenyl]-N-methylanilino]propanoic acid Traditional Name: 3-[4-(4-lauryloxycarbonyl-2-nitro-phenyl)azo-N-methyl-anilino]propionic acid Formula: C29H40N4O6 MolecularWeight: 540.6511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N4O6/c1-3-4-5-6-7-8-9-10-11-12-21-39-29(36)23-13-18-26(27(22-23)33(37)38)31-30-24-14-16-25(17-15-24)32(2)20-19-28(34)35/h13-18,22H,3-12,19-21H2,1-2H3,(H,34,35)