(2S)-2-[(2,4-dinitrophenyl)amino]-4-methylsulfanyl-butanoic acid; N-phenylaniline

Systemtic Name: (2S)-2-[(2,4-dinitrophenyl)amino]-4-methylsulfanyl-butanoic acid; N-phenylaniline Openeye Name: (2S)-2-(2,4-dinitroanilino)-4-methylsulfanyl-butanoic acid; N-phenylaniline CAS Name: (2S)-2-(2,4-dinitroanilino)-4-(methylthio)butanoic acid; N-phenylaniline IUPAC Name: (2S)-2-(2,4-dinitroanilino)-4-methylsulfanylbutanoic acid; N-phenylaniline Traditional Name: (2S)-2-(2,4-dinitroanilino)-4-(methylthio)butyric acid; diphenylamine Formula: C23H24N4O6S MolecularWeight: 484.52486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N.C11H13N3O6S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-21-5-4-9(11(15)16)12-8-3-2-7(13(17)18)6-10(8)14(19)20/h1-10,13H;2-3,6,9,12H,4-5H2,1H3,(H,15,16)/t;9-/m.0/s1