[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H13N3O7 MolecularWeight: 383.31172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C18H13N3O7/c1-10-4-2-3-5-11(10)17-19-16(28-20-17)8-25-18(22)12-6-14-15(27-9-26-14)7-13(12)21(23)24/h2-7H,8-9H2,1H3