methyl 2-methyl-4-nitro-3-phenyl-butanoate

Systemtic Name: methyl 2-methyl-4-nitro-3-phenyl-butanoate Openeye Name: methyl 2-methyl-4-nitro-3-phenyl-butanoate CAS Name: 2-methyl-4-nitro-3-phenylbutanoic acid methyl ester IUPAC Name: methyl 2-methyl-4-nitro-3-phenylbutanoate Traditional Name: 2-methyl-4-nitro-3-phenyl-butyric acid methyl ester Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-9(12(14)17-2)11(8-13(15)16)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3