3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-(4-methyl-3,5-dinitro-phenyl)propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-(4-methyl-3,5-dinitro-phenyl)propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-(4-methyl-3,5-dinitro-phenyl)propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-(4-methyl-3,5-dinitrophenyl)propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-(4-methyl-3,5-dinitrophenyl)propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-(4-methyl-3,5-dinitro-phenyl)propionamide Formula: C13H11BrN6O7 MolecularWeight: 443.16644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C13H11BrN6O7/c1-7-10(18(22)23)4-8(5-11(7)19(24)25)15-12(21)2-3-17-6-9(14)13(16-17)20(26)27/h4-6H,2-3H2,1H3,(H,15,21)