2-chloranyl-N-[(1-methylpyrazol-4-yl)methyl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[(1-methylpyrazol-4-yl)methyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[(1-methyl-4-pyrazolyl)methyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-nitro-benzamide Formula: C12H11ClN4O3 MolecularWeight: 294.69374

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CN1C=C(C=N1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H11ClN4O3/c1-16-7-8(6-15-16)5-14-12(18)10-4-9(17(19)20)2-3-11(10)13/h2-4,6-7H,5H2,1H3,(H,14,18)