(phenylmethyl) 2-[1-(4-bromanyl-2-nitro-phenyl)ethyl]-3-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) 2-[1-(4-bromanyl-2-nitro-phenyl)ethyl]-3-oxidanylidene-butanoate Openeye Name: benzyl 2-acetyl-3-(4-bromo-2-nitro-phenyl)butanoate CAS Name: 2-acetyl-3-(4-bromo-2-nitrophenyl)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-acetyl-3-(4-bromo-2-nitrophenyl)butanoate Traditional Name: 2-acetyl-3-(4-bromo-2-nitro-phenyl)butyric acid benzyl ester Formula: C19H18BrNO5 MolecularWeight: 420.25392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)Br)[N+](=O)[O-])C(C(=O)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C1=C(C=C(C=C1)Br)[N+](=O)[O-])C(C(=O)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H18BrNO5/c1-12(16-9-8-15(20)10-17(16)21(24)25)18(13(2)22)19(23)26-11-14-6-4-3-5-7-14/h3-10,12,18H,11H2,1-2H3