bis[2-[[4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]-ethyl-amino]ethyl] nonanedioate

Systemtic Name: bis[2-[[4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]-ethyl-amino]ethyl] nonanedioate Openeye Name: bis[2-[4-(2-cyano-4-nitro-phenyl)azo-N-ethyl-anilino]ethyl] nonanedioate CAS Name: nonanedioic acid bis[2-[4-(2-cyano-4-nitrophenyl)azo-N-ethylanilino]ethyl] ester IUPAC Name: bis[2-[4-[(2-cyano-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl] nonanedioate Traditional Name: azelaic acid bis[2-[4-(2-cyano-4-nitro-phenyl)azo-N-ethyl-anilino]ethyl] ester Formula: C43H46N10O8 MolecularWeight: 830.88754

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCOC(=O)CCCCCCCC(=O)OCCN(CC)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=CC=C(C=C3)N=NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

CCN(CCOC(=O)CCCCCCCC(=O)OCCN(CC)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=CC=C(C=C3)N=NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C43H46N10O8/c1-3-50(36-16-12-34(13-17-36)46-48-40-22-20-38(52(56)57)28-32(40)30-44)24-26-60-42(54)10-8-6-5-7-9-11-43(55)61-27-25-51(4-2)37-18-14-35(15-19-37)47-49-41-23-21-39(53(58)59)29-33(41)31-45/h12-23,28-29H,3-11,24-27H2,1-2H3