2-chloranyl-N-[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-nitro-benzamide Openeye Name: 2-chloro-N-[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-nitro-benzamide CAS Name: 2-chloro-N-[4-cyano-2-(4,6-dimethyl-2-pyrimidinyl)-3-pyrazolyl]-3-nitrobenzamide IUPAC Name: 2-chloro-N-[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-nitrobenzamide Traditional Name: 2-chloro-N-[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-nitro-benzamide Formula: C17H12ClN7O3 MolecularWeight: 397.77528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=C(C=N2)C#N)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=C(C=N2)C#N)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C17H12ClN7O3/c1-9-6-10(2)22-17(21-9)24-15(11(7-19)8-20-24)23-16(26)12-4-3-5-13(14(12)18)25(27)28/h3-6,8H,1-2H3,(H,23,26)