2-(5-methyl-3-nitro-pyrazol-1-yl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]butanamide

Systemtic Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]butanamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-(5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-(5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C17H21N5O7 MolecularWeight: 407.37794

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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(=CC(=N2)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O7/c1-3-14(20-10(2)8-15(19-20)22(28)29)17(25)18-13(9-23)16(24)11-4-6-12(7-5-11)21(26)27/h4-8,13-14,16,23-24H,3,9H2,1-2H3,(H,18,25)