N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-2,5-dimethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-2,5-dimethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Formula: C16H15ClN6O3 MolecularWeight: 374.7817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=NN(C=C2Cl)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=NN(C=C2Cl)CC3=CC=CC=C3)C

InChI

InChI=1S/C16H15ClN6O3/c1-10-13(23(25)26)14(21(2)19-10)16(24)18-15-12(17)9-22(20-15)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,18,20,24)