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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

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