ethyl 3-(3,4-dimethoxyphenyl)-4-nitro-2-(phenylmethyl)butanoate

Systemtic Name: ethyl 3-(3,4-dimethoxyphenyl)-4-nitro-2-(phenylmethyl)butanoate Openeye Name: ethyl 2-benzyl-3-(3,4-dimethoxyphenyl)-4-nitro-butanoate CAS Name: 3-(3,4-dimethoxyphenyl)-4-nitro-2-(phenylmethyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-benzyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate Traditional Name: 2-benzyl-3-(3,4-dimethoxyphenyl)-4-nitro-butyric acid ethyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)C(C[N+](=O)[O-])C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)C(C[N+](=O)[O-])C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H25NO6/c1-4-28-21(23)17(12-15-8-6-5-7-9-15)18(14-22(24)25)16-10-11-19(26-2)20(13-16)27-3/h5-11,13,17-18H,4,12,14H2,1-3H3