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

Systemtic Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5-(1,3-oxazol-2-yl)-3-oxidanylidene-pentanoate Openeye Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5-oxazol-2-yl-3-oxo-pentanoate CAS Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-5-(2-oxazolyl)-3-oxopentanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-5-(1,3-oxazol-2-yl)-3-oxopentanoate Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-3-keto-5-oxazol-2-yl-valeric acid ethyl ester Formula: C19H20N2O8 MolecularWeight: 404.3707

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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=NC=CO3

Isomeric SMILES

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2)C(=O)CCC3=NC=CO3

InChI

InChI=1S/C19H20N2O8/c1-2-26-19(23)18(14(22)4-6-17-20-7-8-27-17)13(10-21(24)25)12-3-5-15-16(9-12)29-11-28-15/h3,5,7-9,13,18H,2,4,6,10-11H2,1H3