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

Systemtic Name: N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-4-nitro-1H-pyrazole-5-carboxamide Formula: C14H11ClN6O3 MolecularWeight: 346.72854

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C14H11ClN6O3/c15-10-8-20(7-9-4-2-1-3-5-9)19-13(10)17-14(22)12-11(21(23)24)6-16-18-12/h1-6,8H,7H2,(H,16,18)(H,17,19,22)