3-[[4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]-ethyl-amino]propanoic acid

Systemtic Name: 3-[[4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]-ethyl-amino]propanoic acid Openeye Name: 3-[4-(2-cyano-4-nitro-phenyl)azo-N-ethyl-anilino]propanoic acid CAS Name: 3-[4-(2-cyano-4-nitrophenyl)azo-N-ethylanilino]propanoic acid IUPAC Name: 3-[4-[(2-cyano-4-nitrophenyl)diazenyl]-N-ethylanilino]propanoic acid Traditional Name: 3-[4-(2-cyano-4-nitro-phenyl)azo-N-ethyl-anilino]propionic acid Formula: C18H17N5O4 MolecularWeight: 367.35868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O4/c1-2-22(10-9-18(24)25)15-5-3-14(4-6-15)20-21-17-8-7-16(23(26)27)11-13(17)12-19/h3-8,11H,2,9-10H2,1H3,(H,24,25)