2-[2-cyanoethyl-[4-[(4-nitrophenyl)diazenyl]phenyl]amino]ethyl 2-phenoxyethanoate

Systemtic Name: 2-[2-cyanoethyl-[4-[(4-nitrophenyl)diazenyl]phenyl]amino]ethyl 2-phenoxyethanoate Openeye Name: 2-[N-(2-cyanoethyl)-4-(4-nitrophenyl)azo-anilino]ethyl 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid 2-[N-(2-cyanoethyl)-4-(4-nitrophenyl)azoanilino]ethyl ester IUPAC Name: 2-[N-(2-cyanoethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethyl 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid 2-[N-(2-cyanoethyl)-4-(4-nitrophenyl)azo-anilino]ethyl ester Formula: C25H23N5O5 MolecularWeight: 473.48062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)OCCN(CCC#N)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)OCCN(CCC#N)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O5/c26-15-4-16-29(17-18-34-25(31)19-35-24-5-2-1-3-6-24)22-11-7-20(8-12-22)27-28-21-9-13-23(14-10-21)30(32)33/h1-3,5-14H,4,16-19H2