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

Systemtic Name: 2-chloranyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[(1-ethyl-4-pyrazolyl)methyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-5-nitro-benzamide Formula: C13H13ClN4O3 MolecularWeight: 308.72032

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCN1C=C(C=N1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H13ClN4O3/c1-2-17-8-9(7-16-17)6-15-13(19)11-5-10(18(20)21)3-4-12(11)14/h3-5,7-8H,2,6H2,1H3,(H,15,19)