4-[2-cyanoethyl-[4-[(2-cyano-3-nitro-phenyl)diazenyl]phenyl]amino]butanoic acid

Systemtic Name: 4-[2-cyanoethyl-[4-[(2-cyano-3-nitro-phenyl)diazenyl]phenyl]amino]butanoic acid Openeye Name: 4-[N-(2-cyanoethyl)-4-(2-cyano-3-nitro-phenyl)azo-anilino]butanoic acid CAS Name: 4-[N-(2-cyanoethyl)-4-(2-cyano-3-nitrophenyl)azoanilino]butanoic acid IUPAC Name: 4-[N-(2-cyanoethyl)-4-[(2-cyano-3-nitrophenyl)diazenyl]anilino]butanoic acid Traditional Name: 4-[N-(2-cyanoethyl)-4-(2-cyano-3-nitro-phenyl)azo-anilino]butyric acid Formula: C20H18N6O4 MolecularWeight: 406.39472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6O4/c21-11-3-13-25(12-2-6-20(27)28)16-9-7-15(8-10-16)23-24-18-4-1-5-19(26(29)30)17(18)14-22/h1,4-5,7-10H,2-3,6,12-13H2,(H,27,28)