(phenylmethyl) (2E)-4-(4-bromanyl-2-nitro-phenyl)-2-hydroxyimino-butanoate

Systemtic Name: (phenylmethyl) (2E)-4-(4-bromanyl-2-nitro-phenyl)-2-hydroxyimino-butanoate Openeye Name: benzyl (2E)-4-(4-bromo-2-nitro-phenyl)-2-hydroxyimino-butanoate CAS Name: (2E)-4-(4-bromo-2-nitrophenyl)-2-hydroxyiminobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2E)-4-(4-bromo-2-nitrophenyl)-2-hydroxyiminobutanoate Traditional Name: (2E)-4-(4-bromo-2-nitro-phenyl)-2-hydroximino-butyric acid benzyl ester Formula: C17H15BrN2O5 MolecularWeight: 407.2154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(=NO)CCC2=C(C=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O5/c18-14-8-6-13(16(10-14)20(23)24)7-9-15(19-22)17(21)25-11-12-4-2-1-3-5-12/h1-6,8,10,22H,7,9,11H2/b19-15+