3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole; 2-formamido-4-methylsulfanyl-butanoic acid

Systemtic Name: 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole; 2-formamido-4-methylsulfanyl-butanoic acid Openeye Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; 2-formamido-4-methylsulfanyl-butanoic acid CAS Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; 2-formamido-4-(methylthio)butanoic acid IUPAC Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; 2-formamido-4-methylsulfanylbutanoic acid Traditional Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; 2-formamido-4-(methylthio)butyric acid Formula: C16H17Cl2N3O5S MolecularWeight: 434.29428

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC=O.C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C2=CNC=C2Cl

Isomeric SMILES

CSCCC(C(=O)O)NC=O.C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C2=CNC=C2Cl

InChI

InChI=1S/C10H6Cl2N2O2.C6H11NO3S/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12;1-11-3-2-5(6(9)10)7-4-8/h1-5,13H;4-5H,2-3H2,1H3,(H,7,8)(H,9,10)