(2R)-2-(dimethylazaniumyl)-4-oxidanylidene-4-[(4-phenyldiazenylphenyl)amino]butanoate

Systemtic Name: (2R)-2-(dimethylazaniumyl)-4-oxidanylidene-4-[(4-phenyldiazenylphenyl)amino]butanoate Openeye Name: (2R)-2-(dimethylammonio)-4-oxo-4-(4-phenylazoanilino)butanoate CAS Name: (2R)-2-(dimethylammonio)-4-oxo-4-(4-phenyldiazenylanilino)butanoate IUPAC Name: (2R)-2-(dimethylazaniumyl)-4-oxo-4-(4-phenyldiazenylanilino)butanoate Traditional Name: (2R)-2-(dimethylammonio)-4-keto-4-(4-phenylazoanilino)butyrate Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[NH+](C)[C@H](CC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C18H20N4O3/c1-22(2)16(18(24)25)12-17(23)19-13-8-10-15(11-9-13)21-20-14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3,(H,19,23)(H,24,25)/t16-/m1/s1