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

Systemtic Name: ethyl 3-(4-chlorophenyl)-2-ethanoyl-4-nitro-butanoate Openeye Name: ethyl 2-acetyl-3-(4-chlorophenyl)-4-nitro-butanoate CAS Name: 2-acetyl-3-(4-chlorophenyl)-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 2-acetyl-3-(4-chlorophenyl)-4-nitrobutanoate Traditional Name: 2-acetyl-3-(4-chlorophenyl)-4-nitro-butyric acid ethyl ester Formula: C14H16ClNO5 MolecularWeight: 313.73354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClNO5/c1-3-21-14(18)13(9(2)17)12(8-16(19)20)10-4-6-11(15)7-5-10/h4-7,12-13H,3,8H2,1-2H3