ethyl 3-[[3-chloranyl-4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]-ethyl-amino]propanoate

Systemtic Name: ethyl 3-[[3-chloranyl-4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]-ethyl-amino]propanoate Openeye Name: ethyl 3-[3-chloro-4-(2-cyano-4-nitro-phenyl)azo-N-ethyl-anilino]propanoate CAS Name: 3-[3-chloro-4-(2-cyano-4-nitrophenyl)azo-N-ethylanilino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-chloro-4-[(2-cyano-4-nitrophenyl)diazenyl]-N-ethylanilino]propanoate Traditional Name: 3-[3-chloro-4-(2-cyano-4-nitro-phenyl)azo-N-ethyl-anilino]propionic acid ethyl ester Formula: C20H20ClN5O4 MolecularWeight: 429.8569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN5O4/c1-3-25(10-9-20(27)30-4-2)15-5-8-19(17(21)12-15)24-23-18-7-6-16(26(28)29)11-14(18)13-22/h5-8,11-12H,3-4,9-10H2,1-2H3