3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole; 3-methyl-2-oxidanylidene-butanoate

Systemtic Name: 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole; 3-methyl-2-oxidanylidene-butanoate Openeye Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; 3-methyl-2-oxo-butanoate CAS Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; 3-methyl-2-oxobutanoate IUPAC Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; 3-methyl-2-oxobutanoate Traditional Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; 2-keto-3-methyl-butyrate Formula: C15H13Cl2N2O5- MolecularWeight: 372.18012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H6Cl2N2O2.C5H8O3/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12;1-3(2)4(6)5(7)8/h1-5,13H;3H,1-2H3,(H,7,8)/p-1