2-[2-[2-cyanoethyl-[4-[(2-cyano-3-nitro-phenyl)diazenyl]phenyl]amino]ethyl]benzoate

Systemtic Name: 2-[2-[2-cyanoethyl-[4-[(2-cyano-3-nitro-phenyl)diazenyl]phenyl]amino]ethyl]benzoate Openeye Name: 2-[2-[N-(2-cyanoethyl)-4-(2-cyano-3-nitro-phenyl)azo-anilino]ethyl]benzoate CAS Name: 2-[2-[N-(2-cyanoethyl)-4-(2-cyano-3-nitrophenyl)azoanilino]ethyl]benzoate IUPAC Name: 2-[2-[N-(2-cyanoethyl)-4-[(2-cyano-3-nitrophenyl)diazenyl]anilino]ethyl]benzoate Traditional Name: 2-[2-[N-(2-cyanoethyl)-4-(2-cyano-3-nitro-phenyl)azo-anilino]ethyl]benzoate Formula: C25H19N6O4- MolecularWeight: 467.45616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N6O4/c26-14-4-15-30(16-13-18-5-1-2-6-21(18)25(32)33)20-11-9-19(10-12-20)28-29-23-7-3-8-24(31(34)35)22(23)17-27/h1-3,5-12H,4,13,15-16H2,(H,32,33)/p-1