methyl (2R)-2-[(4-methyl-2,6-dinitro-phenyl)amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[(4-methyl-2,6-dinitro-phenyl)amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-(4-methyl-2,6-dinitro-anilino)-4-methylsulfanyl-butanoate CAS Name: (2R)-2-(4-methyl-2,6-dinitroanilino)-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-(4-methyl-2,6-dinitroanilino)-4-methylsulfanylbutanoate Traditional Name: (2R)-2-(4-methyl-2,6-dinitro-anilino)-4-(methylthio)butyric acid methyl ester Formula: C13H17N3O6S MolecularWeight: 343.35558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(CCSC)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])N[C@H](CCSC)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O6S/c1-8-6-10(15(18)19)12(11(7-8)16(20)21)14-9(4-5-23-3)13(17)22-2/h6-7,9,14H,4-5H2,1-3H3/t9-/m1/s1