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

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-(2-cyano-4-nitro-phenyl)propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-(2-cyano-4-nitro-phenyl)propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-(2-cyano-4-nitrophenyl)propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-(2-cyano-4-nitrophenyl)propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-(2-cyano-4-nitro-phenyl)propionamide Formula: C13H9BrN6O5 MolecularWeight: 409.15176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9BrN6O5/c14-10-7-18(17-13(10)20(24)25)4-3-12(21)16-11-2-1-9(19(22)23)5-8(11)6-15/h1-2,5,7H,3-4H2,(H,16,21)