1-(4-chloranyl-2-nitro-phenyl)ethyl 3-oxidanylidenebutanoate

Systemtic Name: 1-(4-chloranyl-2-nitro-phenyl)ethyl 3-oxidanylidenebutanoate Openeye Name: 1-(4-chloro-2-nitro-phenyl)ethyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 1-(4-chloro-2-nitrophenyl)ethyl ester IUPAC Name: 1-(4-chloro-2-nitrophenyl)ethyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 1-(4-chloro-2-nitro-phenyl)ethyl ester Formula: C12H12ClNO5 MolecularWeight: 285.68038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClNO5/c1-7(15)5-12(16)19-8(2)10-4-3-9(13)6-11(10)14(17)18/h3-4,6,8H,5H2,1-2H3