4-chloranyl-3-oxidanylidene-butanoic acid; 4-nitrobenzamide

Systemtic Name: 4-chloranyl-3-oxidanylidene-butanoic acid; 4-nitrobenzamide Openeye Name: 4-chloro-3-oxo-butanoic acid; 4-nitrobenzamide CAS Name: 4-chloro-3-oxobutanoic acid; 4-nitrobenzamide IUPAC Name: 4-chloro-3-oxobutanoic acid; 4-nitrobenzamide Traditional Name: 4-chloro-3-keto-butyric acid; 4-nitrobenzamide Formula: C11H11ClN2O6 MolecularWeight: 302.66784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)[N+](=O)[O-].C(C(=O)CCl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)[N+](=O)[O-].C(C(=O)CCl)C(=O)O

InChI

InChI=1S/C7H6N2O3.C4H5ClO3/c8-7(10)5-1-3-6(4-2-5)9(11)12;5-2-3(6)1-4(7)8/h1-4H,(H2,8,10);1-2H2,(H,7,8)