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

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-4-nitro-2-[4-(2-propan-2-yloxyethoxy)phenyl]carbonyl-butanoate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-[4-(2-isopropoxyethoxy)benzoyl]-4-nitro-butanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-4-nitro-2-[oxo-[4-(2-propan-2-yloxyethoxy)phenyl]methyl]butanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-4-nitro-2-[4-(2-propan-2-yloxyethoxy)benzoyl]butanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-[4-(2-isopropoxyethoxy)benzoyl]-4-nitro-butyric acid ethyl ester Formula: C25H29NO9 MolecularWeight: 487.49906

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO9/c1-4-31-25(28)23(20(14-26(29)30)18-7-10-21-22(13-18)35-15-34-21)24(27)17-5-8-19(9-6-17)33-12-11-32-16(2)3/h5-10,13,16,20,23H,4,11-12,14-15H2,1-3H3