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

Systemtic Name: (2R)-2-(3-methoxypropylazaniumyl)-4-oxidanylidene-4-[(4-phenyldiazenylphenyl)amino]butanoate Openeye Name: (2R)-2-(3-methoxypropylammonio)-4-oxo-4-(4-phenylazoanilino)butanoate CAS Name: (2R)-2-(3-methoxypropylammonio)-4-oxo-4-(4-phenyldiazenylanilino)butanoate IUPAC Name: (2R)-2-(3-methoxypropylazaniumyl)-4-oxo-4-(4-phenyldiazenylanilino)butanoate Traditional Name: (2R)-4-keto-2-(3-methoxypropylammonio)-4-(4-phenylazoanilino)butyrate Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

COCCC[NH2+]C(CC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

COCCC[NH2+][C@H](CC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C20H24N4O4/c1-28-13-5-12-21-18(20(26)27)14-19(25)22-15-8-10-17(11-9-15)24-23-16-6-3-2-4-7-16/h2-4,6-11,18,21H,5,12-14H2,1H3,(H,22,25)(H,26,27)/t18-/m1/s1