(3-azanyl-3-oxidanylidene-propyl) 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (3-azanyl-3-oxidanylidene-propyl) 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (3-amino-3-oxo-propyl) 2-[(2-chloro-4-nitro-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (3-amino-3-oxopropyl) ester IUPAC Name: (3-amino-3-oxopropyl) 2-[(2-chloro-4-nitrobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]-4-(methylthio)butyric acid (3-amino-3-keto-propyl) ester Formula: C15H18ClN3O6S MolecularWeight: 403.83792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCCC(=O)N)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CSCCC(C(=O)OCCC(=O)N)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H18ClN3O6S/c1-26-7-5-12(15(22)25-6-4-13(17)20)18-14(21)10-3-2-9(19(23)24)8-11(10)16/h2-3,8,12H,4-7H2,1H3,(H2,17,20)(H,18,21)