ethyl 3-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)carbonyl-5-nitro-pentanoate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)carbonyl-5-nitro-pentanoate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-(4-methoxybenzoyl)-5-nitro-pentanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)-oxomethyl]-5-nitropentanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-(4-methoxybenzoyl)-5-nitropentanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-nitro-2-p-anisoyl-valeric acid ethyl ester Formula: C22H23NO8 MolecularWeight: 429.41992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO8/c1-3-29-22(25)20(21(24)14-4-7-16(28-2)8-5-14)17(10-11-23(26)27)15-6-9-18-19(12-15)31-13-30-18/h4-9,12,17,20H,3,10-11,13H2,1-2H3