1-[(4-tert-butylphenyl)methyl]-3,5-dimethyl-4-nitro-pyrazole

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3,5-dimethyl-4-nitro-pyrazole Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3,5-dimethyl-4-nitro-pyrazole CAS Name: 1-[(4-tert-butylphenyl)methyl]-3,5-dimethyl-4-nitropyrazole IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3,5-dimethyl-4-nitropyrazole Traditional Name: 1-(4-tert-butylbenzyl)-3,5-dimethyl-4-nitro-pyrazole Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2/c1-11-15(19(20)21)12(2)18(17-11)10-13-6-8-14(9-7-13)16(3,4)5/h6-9H,10H2,1-5H3