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

Systemtic Name: N-[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[4-cyano-2-(4,6-dimethyl-2-pyrimidinyl)-3-pyrazolyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-2-methyl-3-nitro-benzamide Formula: C18H15N7O3 MolecularWeight: 377.3568

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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-])C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H15N7O3/c1-10-7-11(2)22-18(21-10)24-16(13(8-19)9-20-24)23-17(26)14-5-4-6-15(12(14)3)25(27)28/h4-7,9H,1-3H3,(H,23,26)