ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5-(1-methylpyrrol-2-yl)-3-oxidanylidene-pentanoate

Systemtic Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5-(1-methylpyrrol-2-yl)-3-oxidanylidene-pentanoate Openeye Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5-(1-methylpyrrol-2-yl)-3-oxo-pentanoate CAS Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-5-(1-methyl-2-pyrrolyl)-3-oxopentanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-5-(1-methylpyrrol-2-yl)-3-oxopentanoate Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-3-keto-5-(1-methylpyrrol-2-yl)valeric acid ethyl ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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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)CCC3=CC=CN3C

Isomeric SMILES

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2)C(=O)CCC3=CC=CN3C

InChI

InChI=1S/C21H24N2O7/c1-3-28-21(25)20(17(24)8-7-15-5-4-10-22(15)2)16(12-23(26)27)14-6-9-18-19(11-14)30-13-29-18/h4-6,9-11,16,20H,3,7-8,12-13H2,1-2H3