4-bromanyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-3-nitro-N-[1-(o-tolylmethyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[1-(2-methylbenzyl)pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C15H13BrN6O3 MolecularWeight: 405.20612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

InChI

InChI=1S/C15H13BrN6O3/c1-9-4-2-3-5-10(9)7-21-8-11(6-17-21)18-15(23)13-12(16)14(20-19-13)22(24)25/h2-6,8H,7H2,1H3,(H,18,23)(H,19,20)