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

Systemtic Name: ethyl 2-ethanoyl-3-(4-methoxyphenyl)-4-nitro-butanoate Openeye Name: ethyl 2-acetyl-3-(4-methoxyphenyl)-4-nitro-butanoate CAS Name: 2-acetyl-3-(4-methoxyphenyl)-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 2-acetyl-3-(4-methoxyphenyl)-4-nitrobutanoate Traditional Name: 2-acetyl-3-(4-methoxyphenyl)-4-nitro-butyric acid ethyl ester Formula: C15H19NO6 MolecularWeight: 309.31446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO6/c1-4-22-15(18)14(10(2)17)13(9-16(19)20)11-5-7-12(21-3)8-6-11/h5-8,13-14H,4,9H2,1-3H3