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

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-[4-(methoxymethoxy)phenyl]carbonyl-4-nitro-butanoate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-[4-(methoxymethoxy)benzoyl]-4-nitro-butanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-[[4-(methoxymethoxy)phenyl]-oxomethyl]-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-[4-(methoxymethoxy)benzoyl]-4-nitrobutanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-[4-(methoxymethoxy)benzoyl]-4-nitro-butyric acid ethyl ester Formula: C22H23NO9 MolecularWeight: 445.41932

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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)OCOC

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO9/c1-3-29-22(25)20(21(24)14-4-7-16(8-5-14)30-12-28-2)17(11-23(26)27)15-6-9-18-19(10-15)32-13-31-18/h4-10,17,20H,3,11-13H2,1-2H3