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

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-(2-methoxy-4-nitro-phenyl)propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-(2-methoxy-4-nitro-phenyl)propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-(2-methoxy-4-nitrophenyl)propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-(2-methoxy-4-nitrophenyl)propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-(2-methoxy-4-nitro-phenyl)propionamide Formula: C13H12BrN5O6 MolecularWeight: 414.16828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br

InChI

InChI=1S/C13H12BrN5O6/c1-25-11-6-8(18(21)22)2-3-10(11)15-12(20)4-5-17-7-9(14)13(16-17)19(23)24/h2-3,6-7H,4-5H2,1H3,(H,15,20)