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

Systemtic Name: 2-[2-cyanoethyl-[4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]amino]ethyl 2-phenoxyethanoate Openeye Name: 2-[N-(2-cyanoethyl)-4-(2-cyano-4-nitro-phenyl)azo-anilino]ethyl 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid 2-[N-(2-cyanoethyl)-4-(2-cyano-4-nitrophenyl)azoanilino]ethyl ester IUPAC Name: 2-[N-(2-cyanoethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]ethyl 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid 2-[N-(2-cyanoethyl)-4-(2-cyano-4-nitro-phenyl)azo-anilino]ethyl ester Formula: C26H22N6O5 MolecularWeight: 498.49008

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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=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H22N6O5/c27-13-4-14-31(15-16-36-26(33)19-37-24-5-2-1-3-6-24)22-9-7-21(8-10-22)29-30-25-12-11-23(32(34)35)17-20(25)18-28/h1-3,5-12,17H,4,14-16,19H2