methyl 3-bromanyl-2-[nitro(phenyl)methyl]-4-oxidanylidene-4-phenyl-butanoate

Systemtic Name: methyl 3-bromanyl-2-[nitro(phenyl)methyl]-4-oxidanylidene-4-phenyl-butanoate Openeye Name: methyl 3-bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenyl-butanoate CAS Name: 3-bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 3-bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoate Traditional Name: 3-bromo-4-keto-2-[nitro(phenyl)methyl]-4-phenyl-butyric acid methyl ester Formula: C18H16BrNO5 MolecularWeight: 406.22734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrNO5/c1-25-18(22)14(15(19)17(21)13-10-6-3-7-11-13)16(20(23)24)12-8-4-2-5-9-12/h2-11,14-16H,1H3