ethyl 2-(4-methoxyphenyl)carbonyl-4-nitro-3-phenyl-butanoate

Systemtic Name: ethyl 2-(4-methoxyphenyl)carbonyl-4-nitro-3-phenyl-butanoate Openeye Name: ethyl 2-(4-methoxybenzoyl)-4-nitro-3-phenyl-butanoate CAS Name: 2-[(4-methoxyphenyl)-oxomethyl]-4-nitro-3-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-(4-methoxybenzoyl)-4-nitro-3-phenylbutanoate Traditional Name: 4-nitro-2-p-anisoyl-3-phenyl-butyric acid ethyl ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H21NO6/c1-3-27-20(23)18(19(22)15-9-11-16(26-2)12-10-15)17(13-21(24)25)14-7-5-4-6-8-14/h4-12,17-18H,3,13H2,1-2H3