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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H17NO8 MolecularWeight: 411.36158

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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-])OCCO4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

InChI

InChI=1S/C21H17NO8/c1-2-12-3-4-14-13(8-20(23)30-17(14)7-12)11-29-21(24)15-9-18-19(28-6-5-27-18)10-16(15)22(25)26/h3-4,7-10H,2,5-6,11H2,1H3