[2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] 5-propyl-1H-pyrazole-3-carboxylate

Systemtic Name: [2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] 5-propyl-1H-pyrazole-3-carboxylate Openeye Name: [2-(2,6-dibromo-4-nitro-anilino)-2-oxo-ethyl] 5-propyl-1H-pyrazole-3-carboxylate CAS Name: 5-propyl-1H-pyrazole-3-carboxylic acid [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate Traditional Name: 5-propyl-1H-pyrazole-3-carboxylic acid [2-(2,6-dibromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C15H14Br2N4O5 MolecularWeight: 490.10346

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NN1)C(=O)OCC(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br

Isomeric SMILES

CCCC1=CC(=NN1)C(=O)OCC(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br

InChI

InChI=1S/C15H14Br2N4O5/c1-2-3-8-4-12(20-19-8)15(23)26-7-13(22)18-14-10(16)5-9(21(24)25)6-11(14)17/h4-6H,2-3,7H2,1H3,(H,18,22)(H,19,20)