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

Systemtic Name: (2R)-2-(2-diethylaminoethylazaniumyl)-4-oxidanylidene-4-[(4-phenyldiazenylphenyl)amino]butanoate Openeye Name: (2R)-2-(2-diethylaminoethylammonio)-4-oxo-4-(4-phenylazoanilino)butanoate CAS Name: (2R)-2-(2-diethylaminoethylammonio)-4-oxo-4-(4-phenyldiazenylanilino)butanoate IUPAC Name: (2R)-2-(2-diethylaminoethylazaniumyl)-4-oxo-4-(4-phenyldiazenylanilino)butanoate Traditional Name: (2R)-2-(2-diethylaminoethylammonio)-4-keto-4-(4-phenylazoanilino)butyrate Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O3/c1-3-27(4-2)15-14-23-20(22(29)30)16-21(28)24-17-10-12-19(13-11-17)26-25-18-8-6-5-7-9-18/h5-13,20,23H,3-4,14-16H2,1-2H3,(H,24,28)(H,29,30)/t20-/m1/s1