ethyl 2-ethanoyl-3-(4-methylphenyl)-4-nitro-butanoate

Systemtic Name: ethyl 2-ethanoyl-3-(4-methylphenyl)-4-nitro-butanoate Openeye Name: ethyl 2-acetyl-4-nitro-3-(p-tolyl)butanoate CAS Name: 2-acetyl-3-(4-methylphenyl)-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 2-acetyl-3-(4-methylphenyl)-4-nitrobutanoate Traditional Name: 2-acetyl-4-nitro-3-(p-tolyl)butyric acid ethyl ester Formula: C15H19NO5 MolecularWeight: 293.31506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO5/c1-4-21-15(18)14(11(3)17)13(9-16(19)20)12-7-5-10(2)6-8-12/h5-8,13-14H,4,9H2,1-3H3