2-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]propanamide

Systemtic Name: 2-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]propanamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-(3-methoxy-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-2-(3-methoxy-4-nitro-pyrazol-1-yl)propionamide Formula: C16H19N5O8 MolecularWeight: 409.35076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O8/c1-9(19-7-13(21(27)28)16(18-19)29-2)15(24)17-12(8-22)14(23)10-3-5-11(6-4-10)20(25)26/h3-7,9,12,14,22-23H,8H2,1-2H3,(H,17,24)