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

Systemtic Name: N-[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-nitro-benzamide Openeye Name: N-[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-nitro-benzamide CAS Name: N-[4-cyano-2-(4,6-dimethyl-2-pyrimidinyl)-3-pyrazolyl]-3-nitrobenzamide IUPAC Name: N-[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-nitrobenzamide Traditional Name: N-[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-nitro-benzamide Formula: C17H13N7O3 MolecularWeight: 363.33022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N7O3/c1-10-6-11(2)21-17(20-10)23-15(13(8-18)9-19-23)22-16(25)12-4-3-5-14(7-12)24(26)27/h3-7,9H,1-2H3,(H,22,25)