(5-methyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid (5-methyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid (5-methyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C13H10ClN3O5 MolecularWeight: 323.6886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)COC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(O1)COC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H10ClN3O5/c1-8-15-16-12(22-8)7-21-13(18)5-3-9-2-4-10(14)11(6-9)17(19)20/h2-6H,7H2,1H3/b5-3+