(4-nitrophenyl)methyl 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (4-nitrophenyl)methyl 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: (4-nitrophenyl)methyl 4-(2,5-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethylphenyl)-4-oxobutanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-(2,5-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethylphenyl)-4-keto-butyric acid (4-nitrobenzyl) ester Formula: C19H19NO5 MolecularWeight: 341.35786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO5/c1-13-3-4-14(2)17(11-13)18(21)9-10-19(22)25-12-15-5-7-16(8-6-15)20(23)24/h3-8,11H,9-10,12H2,1-2H3