[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate

Systemtic Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H13N3O6 MolecularWeight: 355.30162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O6/c1-11-4-2-3-5-13(11)17-18-14(26-19-17)10-24-16(21)9-7-12-6-8-15(25-12)20(22)23/h2-9H,10H2,1H3/b9-7+