2-[[4-[(2-cyano-4-isocyano-phenyl)diazenyl]phenyl]-methyl-amino]ethyl 2,2-dimethylbutanoate

Systemtic Name: 2-[[4-[(2-cyano-4-isocyano-phenyl)diazenyl]phenyl]-methyl-amino]ethyl 2,2-dimethylbutanoate Openeye Name: 2-[4-(2-cyano-4-isocyano-phenyl)azo-N-methyl-anilino]ethyl 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic acid 2-[4-(2-cyano-4-isocyanophenyl)azo-N-methylanilino]ethyl ester IUPAC Name: 2-[4-[(2-cyano-4-isocyanophenyl)diazenyl]-N-methylanilino]ethyl 2,2-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid 2-[4-(2-cyano-4-isocyano-phenyl)azo-N-methyl-anilino]ethyl ester Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O2/c1-6-23(2,3)22(29)30-14-13-28(5)20-10-7-18(8-11-20)26-27-21-12-9-19(25-4)15-17(21)16-24/h7-12,15H,6,13-14H2,1-3,5H3