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

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]propionamide Formula: C15H16BrN5O7 MolecularWeight: 458.22084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(CO)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(C(CO)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)O)[N+](=O)[O-]

InChI

InChI=1S/C15H16BrN5O7/c16-11-7-19(18-15(11)21(27)28)6-5-13(23)17-12(8-22)14(24)9-1-3-10(4-2-9)20(25)26/h1-4,7,12,14,22,24H,5-6,8H2,(H,17,23)