propan-2-yl 4-(4-bromanyl-2-nitro-phenyl)-2-oxidanylidene-butanoate

Systemtic Name: propan-2-yl 4-(4-bromanyl-2-nitro-phenyl)-2-oxidanylidene-butanoate Openeye Name: isopropyl 4-(4-bromo-2-nitro-phenyl)-2-oxo-butanoate CAS Name: 4-(4-bromo-2-nitrophenyl)-2-oxobutanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(4-bromo-2-nitrophenyl)-2-oxobutanoate Traditional Name: 4-(4-bromo-2-nitro-phenyl)-2-keto-butyric acid isopropyl ester Formula: C13H14BrNO5 MolecularWeight: 344.15796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(=O)CCC1=C(C=C(C=C1)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C(=O)CCC1=C(C=C(C=C1)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H14BrNO5/c1-8(2)20-13(17)12(16)6-4-9-3-5-10(14)7-11(9)15(18)19/h3,5,7-8H,4,6H2,1-2H3