[2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-(2,6-dibromo-4-nitro-anilino)-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-(2,6-dibromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C13H10Br2N4O5 MolecularWeight: 462.0503

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)OCC(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br

Isomeric SMILES

CN1C=C(C=N1)C(=O)OCC(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br

InChI

InChI=1S/C13H10Br2N4O5/c1-18-5-7(4-16-18)13(21)24-6-11(20)17-12-9(14)2-8(19(22)23)3-10(12)15/h2-5H,6H2,1H3,(H,17,20)