ethyl 3-(1,3-benzodioxol-5-yl)-2-[4-(2-methoxyethoxy)phenyl]carbonyl-4-nitro-butanoate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-[4-(2-methoxyethoxy)phenyl]carbonyl-4-nitro-butanoate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-[4-(2-methoxyethoxy)benzoyl]-4-nitro-butanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-[[4-(2-methoxyethoxy)phenyl]-oxomethyl]-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-[4-(2-methoxyethoxy)benzoyl]-4-nitrobutanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-[4-(2-methoxyethoxy)benzoyl]-4-nitro-butyric acid ethyl ester Formula: C23H25NO9 MolecularWeight: 459.4459

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2)C(=O)C3=CC=C(C=C3)OCCOC

Isomeric SMILES

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2)C(=O)C3=CC=C(C=C3)OCCOC

InChI

InChI=1S/C23H25NO9/c1-3-30-23(26)21(22(25)15-4-7-17(8-5-15)31-11-10-29-2)18(13-24(27)28)16-6-9-19-20(12-16)33-14-32-19/h4-9,12,18,21H,3,10-11,13-14H2,1-2H3