(phenylmethyl) 4-(4-bromanyl-2-nitro-phenyl)-2-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) 4-(4-bromanyl-2-nitro-phenyl)-2-oxidanylidene-butanoate Openeye Name: benzyl 4-(4-bromo-2-nitro-phenyl)-2-oxo-butanoate CAS Name: 4-(4-bromo-2-nitrophenyl)-2-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-bromo-2-nitrophenyl)-2-oxobutanoate Traditional Name: 4-(4-bromo-2-nitro-phenyl)-2-keto-butyric acid benzyl ester Formula: C17H14BrNO5 MolecularWeight: 392.20076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(=O)CCC2=C(C=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(=O)CCC2=C(C=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H14BrNO5/c18-14-8-6-13(15(10-14)19(22)23)7-9-16(20)17(21)24-11-12-4-2-1-3-5-12/h1-6,8,10H,7,9,11H2