ethyl 3-(1,3-benzodioxol-5-yl)-4-nitro-2-(4-propoxyphenyl)carbonyl-butanoate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-4-nitro-2-(4-propoxyphenyl)carbonyl-butanoate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)-4-nitro-2-(4-propoxybenzoyl)butanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-4-nitro-2-[oxo-(4-propoxyphenyl)methyl]butanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-4-nitro-2-(4-propoxybenzoyl)butanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-nitro-2-(4-propoxybenzoyl)butyric acid ethyl ester Formula: C23H25NO8 MolecularWeight: 443.4465

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)C(C(C[N+](=O)[O-])C2=CC3=C(C=C2)OCO3)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)C(C(C[N+](=O)[O-])C2=CC3=C(C=C2)OCO3)C(=O)OCC

InChI

InChI=1S/C23H25NO8/c1-3-11-30-17-8-5-15(6-9-17)22(25)21(23(26)29-4-2)18(13-24(27)28)16-7-10-19-20(12-16)32-14-31-19/h5-10,12,18,21H,3-4,11,13-14H2,1-2H3