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

Systemtic Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-3-oxidanylidene-5-(2-oxidanylidenepyridin-1-yl)pentanoate Openeye Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-3-oxo-5-(2-oxo-1-pyridyl)pentanoate CAS Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-3-oxo-5-(2-oxo-1-pyridinyl)pentanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-3-oxo-5-(2-oxopyridin-1-yl)pentanoate Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-3-keto-5-(2-keto-1-pyridyl)valeric acid ethyl ester Formula: C21H22N2O8 MolecularWeight: 430.40798

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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)CCN3C=CC=CC3=O

Isomeric SMILES

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2)C(=O)CCN3C=CC=CC3=O

InChI

InChI=1S/C21H22N2O8/c1-2-29-21(26)20(16(24)8-10-22-9-4-3-5-19(22)25)15(12-23(27)28)14-6-7-17-18(11-14)31-13-30-17/h3-7,9,11,15,20H,2,8,10,12-13H2,1H3