(2R)-4-oxidanylidene-2-(3-oxidanylpropylazaniumyl)-4-[(4-phenyldiazenylphenyl)amino]butanoate

Systemtic Name: (2R)-4-oxidanylidene-2-(3-oxidanylpropylazaniumyl)-4-[(4-phenyldiazenylphenyl)amino]butanoate Openeye Name: (2R)-2-(3-hydroxypropylammonio)-4-oxo-4-(4-phenylazoanilino)butanoate CAS Name: (2R)-2-(3-hydroxypropylammonio)-4-oxo-4-(4-phenyldiazenylanilino)butanoate IUPAC Name: (2R)-2-(3-hydroxypropylazaniumyl)-4-oxo-4-(4-phenyldiazenylanilino)butanoate Traditional Name: (2R)-2-(3-hydroxypropylammonio)-4-keto-4-(4-phenylazoanilino)butyrate Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)CC(C(=O)[O-])[NH2+]CCCO

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCCO

InChI

InChI=1S/C19H22N4O4/c24-12-4-11-20-17(19(26)27)13-18(25)21-14-7-9-16(10-8-14)23-22-15-5-2-1-3-6-15/h1-3,5-10,17,20,24H,4,11-13H2,(H,21,25)(H,26,27)/t17-/m1/s1