[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-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 [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-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 [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

InChI

InChI=1S/C20H17N3O7/c1-2-12-3-5-13(6-4-12)19-21-18(30-22-19)11-29-20(24)14-9-16-17(28-8-7-27-16)10-15(14)23(25)26/h3-6,9-10H,2,7-8,11H2,1H3