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

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid (2-methoxy-5-nitro-benzyl) ester Formula: C19H18BrNO7 MolecularWeight: 452.25272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrNO7/c1-26-17-7-4-14(21(24)25)9-12(17)11-28-19(23)8-5-16(22)15-10-13(20)3-6-18(15)27-2/h3-4,6-7,9-10H,5,8,11H2,1-2H3