5-[(E)-2-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]ethenyl]-3-methyl-4-nitro-1,2-oxazole

Systemtic Name: 5-[(E)-2-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]ethenyl]-3-methyl-4-nitro-1,2-oxazole Openeye Name: 5-[(E)-2-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)vinyl]-3-methyl-4-nitro-isoxazole CAS Name: 5-[(E)-2-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]ethenyl]-3-methyl-4-nitroisoxazole IUPAC Name: 5-[(E)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole Traditional Name: 5-[(E)-2-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)vinyl]-3-methyl-4-nitro-isoxazole Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C=CC3=C(C(=NO3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)/C=C/C3=C(C(=NO3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3/c1-12-16(9-10-17-18(22(23)24)13(2)20-25-17)14(3)21(19-12)11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3/b10-9+