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

Systemtic Name: [2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-(2,6-dibromo-4-methyl-anilino)-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-(2,6-dibromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C17H14Br2N2O5 MolecularWeight: 486.11146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)NC(=O)COC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)NC(=O)COC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)Br

InChI

InChI=1S/C17H14Br2N2O5/c1-9-6-12(18)16(13(19)7-9)20-15(22)8-26-17(23)11-4-3-5-14(10(11)2)21(24)25/h3-7H,8H2,1-2H3,(H,20,22)