N-(2-nitrophenyl)-2-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-(2-nitrophenyl)-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-(2-nitrophenyl)-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-(2-nitrophenyl)-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(2-nitrophenyl)-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-(2-nitrophenyl)-2-(4-nitropyrazol-1-yl)butyramide Formula: C13H13N5O5 MolecularWeight: 319.27282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])N2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])N2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O5/c1-2-11(16-8-9(7-14-16)17(20)21)13(19)15-10-5-3-4-6-12(10)18(22)23/h3-8,11H,2H2,1H3,(H,15,19)