N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-2-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-2-(4-nitropyrazol-1-yl)butyramide Formula: C16H19N5O7 MolecularWeight: 393.35136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O7/c1-2-14(19-8-12(7-17-19)21(27)28)16(24)18-13(9-22)15(23)10-3-5-11(6-4-10)20(25)26/h3-8,13-15,22-23H,2,9H2,1H3,(H,18,24)