butyl 3-bromanyl-4-(4-chloranyl-3-nitro-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: butyl 3-bromanyl-4-(4-chloranyl-3-nitro-phenyl)-4-oxidanylidene-butanoate Openeye Name: butyl 3-bromo-4-(4-chloro-3-nitro-phenyl)-4-oxo-butanoate CAS Name: 3-bromo-4-(4-chloro-3-nitrophenyl)-4-oxobutanoic acid butyl ester IUPAC Name: butyl 3-bromo-4-(4-chloro-3-nitrophenyl)-4-oxobutanoate Traditional Name: 3-bromo-4-(4-chloro-3-nitro-phenyl)-4-keto-butyric acid butyl ester Formula: C14H15BrClNO5 MolecularWeight: 392.6296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrClNO5/c1-2-3-6-22-13(18)8-10(15)14(19)9-4-5-11(16)12(7-9)17(20)21/h4-5,7,10H,2-3,6,8H2,1H3