N-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]-3-nitro-benzamide Openeye Name: N-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]-3-nitro-benzamide CAS Name: N-[2-(5-methyl-3-nitro-1-pyrazolyl)ethyl]-3-nitrobenzamide IUPAC Name: N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-3-nitrobenzamide Traditional Name: N-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]-3-nitro-benzamide Formula: C13H13N5O5 MolecularWeight: 319.27282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O5/c1-9-7-12(18(22)23)15-16(9)6-5-14-13(19)10-3-2-4-11(8-10)17(20)21/h2-4,7-8H,5-6H2,1H3,(H,14,19)