methyl 2-(5-chloranyl-2-nitro-phenyl)-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-(5-chloranyl-2-nitro-phenyl)-3-oxidanylidene-butanoate Openeye Name: methyl 2-(5-chloro-2-nitro-phenyl)-3-oxo-butanoate CAS Name: 2-(5-chloro-2-nitrophenyl)-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(5-chloro-2-nitrophenyl)-3-oxobutanoate Traditional Name: 2-(5-chloro-2-nitro-phenyl)-3-keto-butyric acid methyl ester Formula: C11H10ClNO5 MolecularWeight: 271.6538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=C(C=CC(=C1)Cl)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(=O)C(C1=C(C=CC(=C1)Cl)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C11H10ClNO5/c1-6(14)10(11(15)18-2)8-5-7(12)3-4-9(8)13(16)17/h3-5,10H,1-2H3