4-chloranyl-3,5-bis(3-methylphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole

Systemtic Name: 4-chloranyl-3,5-bis(3-methylphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole Openeye Name: 4-chloro-3,5-bis(m-tolyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole CAS Name: 4-chloro-3,5-bis(3-methylphenyl)-1-[(3-nitro-1-pyrazolyl)methyl]pyrazole IUPAC Name: 4-chloro-3,5-bis(3-methylphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole Traditional Name: 4-chloro-3,5-bis(m-tolyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole Formula: C21H18ClN5O2 MolecularWeight: 407.85292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(C(=NN2CN3C=CC(=N3)[N+](=O)[O-])C4=CC(=CC=C4)C)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(C(=NN2CN3C=CC(=N3)[N+](=O)[O-])C4=CC(=CC=C4)C)Cl

InChI

InChI=1S/C21H18ClN5O2/c1-14-5-3-7-16(11-14)20-19(22)21(17-8-4-6-15(2)12-17)26(24-20)13-25-10-9-18(23-25)27(28)29/h3-12H,13H2,1-2H3