1,3-dimethyl-4-[(E)-2-nitroethenyl]-5-phenoxy-pyrazole

Systemtic Name: 1,3-dimethyl-4-[(E)-2-nitroethenyl]-5-phenoxy-pyrazole Openeye Name: 1,3-dimethyl-4-[(E)-2-nitrovinyl]-5-phenoxy-pyrazole CAS Name: 1,3-dimethyl-4-[(E)-2-nitroethenyl]-5-phenoxypyrazole IUPAC Name: 1,3-dimethyl-4-[(E)-2-nitroethenyl]-5-phenoxypyrazole Traditional Name: 1,3-dimethyl-4-[(E)-2-nitrovinyl]-5-phenoxy-pyrazole Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C[N+](=O)[O-])OC2=CC=CC=C2)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/[N+](=O)[O-])OC2=CC=CC=C2)C

InChI

InChI=1S/C13H13N3O3/c1-10-12(8-9-16(17)18)13(15(2)14-10)19-11-6-4-3-5-7-11/h3-9H,1-2H3/b9-8+