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

Systemtic Name: 3-[[4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]-methyl-amino]propanoic acid Openeye Name: 3-[4-(2-cyano-4-nitro-phenyl)azo-N-methyl-anilino]propanoic acid CAS Name: 3-[4-(2-cyano-4-nitrophenyl)azo-N-methylanilino]propanoic acid IUPAC Name: 3-[4-[(2-cyano-4-nitrophenyl)diazenyl]-N-methylanilino]propanoic acid Traditional Name: 3-[4-(2-cyano-4-nitro-phenyl)azo-N-methyl-anilino]propionic acid Formula: C17H15N5O4 MolecularWeight: 353.3321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O4/c1-21(9-8-17(23)24)14-4-2-13(3-5-14)19-20-16-7-6-15(22(25)26)10-12(16)11-18/h2-7,10H,8-9H2,1H3,(H,23,24)