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

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 4-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-butanoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 4-(2-methoxy-5-methyl-phenyl)-4-oxo-butanoate CAS Name: 4-(2-methoxy-5-methylphenyl)-4-oxobutanoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 4-(2-methoxy-5-methylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-(2-methoxy-5-methyl-phenyl)butyric acid (2-methoxy-5-nitro-benzyl) ester Formula: C20H21NO7 MolecularWeight: 387.38324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(=O)CCC(=O)OCC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(=O)CCC(=O)OCC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C20H21NO7/c1-13-4-7-19(27-3)16(10-13)17(22)6-9-20(23)28-12-14-11-15(21(24)25)5-8-18(14)26-2/h4-5,7-8,10-11H,6,9,12H2,1-3H3