3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-(5-nitro-2-oxidanyl-phenyl)propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-(5-nitro-2-oxidanyl-phenyl)propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-(2-hydroxy-5-nitro-phenyl)propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-(2-hydroxy-5-nitrophenyl)propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-(2-hydroxy-5-nitrophenyl)propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-(2-hydroxy-5-nitro-phenyl)propionamide Formula: C12H10BrN5O6 MolecularWeight: 400.1417

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10BrN5O6/c13-8-6-16(15-12(8)18(23)24)4-3-11(20)14-9-5-7(17(21)22)1-2-10(9)19/h1-2,5-6,19H,3-4H2,(H,14,20)