3-(5-methyl-3-nitro-pyrazol-1-yl)-N-(4-nitro-2-oxidanyl-phenyl)propanamide

Systemtic Name: 3-(5-methyl-3-nitro-pyrazol-1-yl)-N-(4-nitro-2-oxidanyl-phenyl)propanamide Openeye Name: N-(2-hydroxy-4-nitro-phenyl)-3-(5-methyl-3-nitro-pyrazol-1-yl)propanamide CAS Name: N-(2-hydroxy-4-nitrophenyl)-3-(5-methyl-3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(2-hydroxy-4-nitrophenyl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide Traditional Name: N-(2-hydroxy-4-nitro-phenyl)-3-(5-methyl-3-nitro-pyrazol-1-yl)propionamide Formula: C13H13N5O6 MolecularWeight: 335.27222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O6/c1-8-6-12(18(23)24)15-16(8)5-4-13(20)14-10-3-2-9(17(21)22)7-11(10)19/h2-3,6-7,19H,4-5H2,1H3,(H,14,20)