4-bromanyl-N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-4-bromo-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-4-bromo-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-4-bromo-3-nitro-1H-pyrazole-5-carboxamide Formula: C14H10BrClN6O3 MolecularWeight: 425.6246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br)Cl

InChI

InChI=1S/C14H10BrClN6O3/c15-10-11(18-19-13(10)22(24)25)14(23)17-12-9(16)7-21(20-12)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,18,19)(H,17,20,23)