4-bromanyl-3,5-bis(4-methoxyphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole

Systemtic Name: 4-bromanyl-3,5-bis(4-methoxyphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole Openeye Name: 4-bromo-3,5-bis(4-methoxyphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole CAS Name: 4-bromo-3,5-bis(4-methoxyphenyl)-1-[(4-nitro-1-pyrazolyl)methyl]pyrazole IUPAC Name: 4-bromo-3,5-bis(4-methoxyphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole Traditional Name: 4-bromo-3,5-bis(4-methoxyphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole Formula: C21H18BrN5O4 MolecularWeight: 484.30272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=NN2CN3C=C(C=N3)[N+](=O)[O-])C4=CC=C(C=C4)OC)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=NN2CN3C=C(C=N3)[N+](=O)[O-])C4=CC=C(C=C4)OC)Br

InChI

InChI=1S/C21H18BrN5O4/c1-30-17-7-3-14(4-8-17)20-19(22)21(15-5-9-18(31-2)10-6-15)26(24-20)13-25-12-16(11-23-25)27(28)29/h3-12H,13H2,1-2H3