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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=C(C=C(C=C2Br)C)Br

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=C(C=C(C=C2Br)C)Br

InChI

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