N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-nitro-benzamide

Systemtic Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-nitro-benzamide Openeye Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-nitro-benzamide CAS Name: N-[(1,3-dimethyl-4-pyrazolyl)methyl]-3-nitrobenzamide IUPAC Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-nitrobenzamide Traditional Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-nitro-benzamide Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C=C1CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H14N4O3/c1-9-11(8-16(2)15-9)7-14-13(18)10-4-3-5-12(6-10)17(19)20/h3-6,8H,7H2,1-2H3,(H,14,18)