[2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] 3-methylbut-2-enoate

Systemtic Name: [2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] 3-methylbut-2-enoate Openeye Name: [2-(2,6-dibromo-4-nitro-anilino)-2-oxo-ethyl] 3-methylbut-2-enoate CAS Name: 3-methyl-2-butenoic acid [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] 3-methylbut-2-enoate Traditional Name: 3-methylbut-2-enoic acid [2-(2,6-dibromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C13H12Br2N2O5 MolecularWeight: 436.05278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCC(=O)NC1=C(C=C(C=C1Br)[N+](=O)[O-])Br)C

Isomeric SMILES

CC(=CC(=O)OCC(=O)NC1=C(C=C(C=C1Br)[N+](=O)[O-])Br)C

InChI

InChI=1S/C13H12Br2N2O5/c1-7(2)3-12(19)22-6-11(18)16-13-9(14)4-8(17(20)21)5-10(13)15/h3-5H,6H2,1-2H3,(H,16,18)