methyl 2-[(2,4-dinitrophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[(2,4-dinitrophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(2,4-dinitrobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2,4-dinitrophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(2,4-dinitrobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2,4-dinitrobenzoyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C13H15N3O7S MolecularWeight: 357.3391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O7S/c1-23-13(18)10(5-6-24-2)14-12(17)9-4-3-8(15(19)20)7-11(9)16(21)22/h3-4,7,10H,5-6H2,1-2H3,(H,14,17)