methyl (3R)-3-methyl-4-(4-nitrophenyl)-4-oxidanylidene-butanoate

Systemtic Name: methyl (3R)-3-methyl-4-(4-nitrophenyl)-4-oxidanylidene-butanoate Openeye Name: methyl (3R)-3-methyl-4-(4-nitrophenyl)-4-oxo-butanoate CAS Name: (3R)-3-methyl-4-(4-nitrophenyl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl (3R)-3-methyl-4-(4-nitrophenyl)-4-oxobutanoate Traditional Name: (3R)-4-keto-3-methyl-4-(4-nitrophenyl)butyric acid methyl ester Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)C(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C[C@H](CC(=O)OC)C(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO5/c1-8(7-11(14)18-2)12(15)9-3-5-10(6-4-9)13(16)17/h3-6,8H,7H2,1-2H3/t8-/m1/s1