3,5-dimethyl-1-[(1S)-2-nitro-1-phenyl-ethyl]pyrazole

Systemtic Name: 3,5-dimethyl-1-[(1S)-2-nitro-1-phenyl-ethyl]pyrazole Openeye Name: 3,5-dimethyl-1-[(1S)-2-nitro-1-phenyl-ethyl]pyrazole CAS Name: 3,5-dimethyl-1-[(1S)-2-nitro-1-phenylethyl]pyrazole IUPAC Name: 3,5-dimethyl-1-[(1S)-2-nitro-1-phenylethyl]pyrazole Traditional Name: 3,5-dimethyl-1-[(1S)-2-nitro-1-phenyl-ethyl]pyrazole Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C[N+](=O)[O-])C2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NN1[C@H](C[N+](=O)[O-])C2=CC=CC=C2)C

InChI

InChI=1S/C13H15N3O2/c1-10-8-11(2)16(14-10)13(9-15(17)18)12-6-4-3-5-7-12/h3-8,13H,9H2,1-2H3/t13-/m1/s1