methyl 4-(4-chloranyl-2-nitro-phenyl)-2-oxidanylidene-butanoate

Systemtic Name: methyl 4-(4-chloranyl-2-nitro-phenyl)-2-oxidanylidene-butanoate Openeye Name: methyl 4-(4-chloro-2-nitro-phenyl)-2-oxo-butanoate CAS Name: 4-(4-chloro-2-nitrophenyl)-2-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(4-chloro-2-nitrophenyl)-2-oxobutanoate Traditional Name: 4-(4-chloro-2-nitro-phenyl)-2-keto-butyric acid methyl ester Formula: C11H10ClNO5 MolecularWeight: 271.6538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)CCC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(=O)CCC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C11H10ClNO5/c1-18-11(15)10(14)5-3-7-2-4-8(12)6-9(7)13(16)17/h2,4,6H,3,5H2,1H3