(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C20H15NO8 MolecularWeight: 397.335

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C20H15NO8/c1-2-11-3-4-13-12(6-19(22)29-16(13)5-11)9-26-20(23)14-7-17-18(28-10-27-17)8-15(14)21(24)25/h3-8H,2,9-10H2,1H3