N-(2-aminocarbonylphenyl)-1-ethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-(2-aminocarbonylphenyl)-1-ethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-(2-carbamoylphenyl)-1-ethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-(2-carbamoylphenyl)-1-ethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-(2-carbamoylphenyl)-1-ethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-(2-carbamoylphenyl)-1-ethyl-4-nitro-pyrazole-3-carboxamide Formula: C13H13N5O4 MolecularWeight: 303.27342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=CC=CC=C2C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=CC=CC=C2C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O4/c1-2-17-7-10(18(21)22)11(16-17)13(20)15-9-6-4-3-5-8(9)12(14)19/h3-7H,2H2,1H3,(H2,14,19)(H,15,20)