ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylphenyl)carbonyl-4-nitro-butanoate

Systemtic Name: ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylphenyl)carbonyl-4-nitro-butanoate Openeye Name: ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylbenzoyl)-4-nitro-butanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-ethylphenyl)-oxomethyl]-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylbenzoyl)-4-nitrobutanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylbenzoyl)-4-nitro-butyric acid ethyl ester Formula: C23H25NO7 MolecularWeight: 427.4471

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C(C[N+](=O)[O-])C2=CC3=C(C=C2)OCCO3)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C(C[N+](=O)[O-])C2=CC3=C(C=C2)OCCO3)C(=O)OCC

InChI

InChI=1S/C23H25NO7/c1-3-15-5-7-16(8-6-15)22(25)21(23(26)29-4-2)18(14-24(27)28)17-9-10-19-20(13-17)31-12-11-30-19/h5-10,13,18,21H,3-4,11-12,14H2,1-2H3