N-[2-(2-cyanoethyl)-5-methyl-pyrazol-3-yl]-4-nitro-benzamide

Systemtic Name: N-[2-(2-cyanoethyl)-5-methyl-pyrazol-3-yl]-4-nitro-benzamide Openeye Name: N-[2-(2-cyanoethyl)-5-methyl-pyrazol-3-yl]-4-nitro-benzamide CAS Name: N-[2-(2-cyanoethyl)-5-methyl-3-pyrazolyl]-4-nitrobenzamide IUPAC Name: N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-nitrobenzamide Traditional Name: N-[2-(2-cyanoethyl)-5-methyl-pyrazol-3-yl]-4-nitro-benzamide Formula: C14H13N5O3 MolecularWeight: 299.28472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCC#N

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCC#N

InChI

InChI=1S/C14H13N5O3/c1-10-9-13(18(17-10)8-2-7-15)16-14(20)11-3-5-12(6-4-11)19(21)22/h3-6,9H,2,8H2,1H3,(H,16,20)