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

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(5-nitro-2-oxidanyl-phenyl)propanamide Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2-hydroxy-5-nitro-phenyl)propanamide CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(2-hydroxy-5-nitrophenyl)propanamide IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-hydroxy-5-nitrophenyl)propanamide Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2-hydroxy-5-nitro-phenyl)propionamide Formula: C14H15N5O6 MolecularWeight: 349.2988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O6/c1-8-14(19(24)25)9(2)17(16-8)6-5-13(21)15-11-7-10(18(22)23)3-4-12(11)20/h3-4,7,20H,5-6H2,1-2H3,(H,15,21)