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

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-(4-ethoxy-2-nitro-phenyl)propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-(4-ethoxy-2-nitro-phenyl)propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-(4-ethoxy-2-nitrophenyl)propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-(4-ethoxy-2-nitro-phenyl)propionamide Formula: C14H14BrN5O6 MolecularWeight: 428.19486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C14H14BrN5O6/c1-2-26-9-3-4-11(12(7-9)19(22)23)16-13(21)5-6-18-8-10(15)14(17-18)20(24)25/h3-4,7-8H,2,5-6H2,1H3,(H,16,21)