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

Systemtic Name: [2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate Openeye Name: [2-(2,6-dibromo-4-nitro-anilino)-2-oxo-ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [2-(2,6-dibromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C14H11Br2N3O5 MolecularWeight: 461.06224

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)OCC(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br

Isomeric SMILES

CN1C=CC=C1C(=O)OCC(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br

InChI

InChI=1S/C14H11Br2N3O5/c1-18-4-2-3-11(18)14(21)24-7-12(20)17-13-9(15)5-8(19(22)23)6-10(13)16/h2-6H,7H2,1H3,(H,17,20)