(4-nitrophenyl)methyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: (4-nitrophenyl)methyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: (4-nitrophenyl)methyl 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid (4-nitrobenzyl) ester Formula: C18H16BrNO6 MolecularWeight: 422.22674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H16BrNO6/c1-25-17-8-4-13(19)10-15(17)16(21)7-9-18(22)26-11-12-2-5-14(6-3-12)20(23)24/h2-6,8,10H,7,9,11H2,1H3