[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)ethanoate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)ethanoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 2-(4-bromophenoxy)acetate CAS Name: 2-(4-bromophenoxy)acetic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate Traditional Name: 2-(4-bromophenoxy)acetic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C17H15BrN2O6 MolecularWeight: 423.2148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)COC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)COC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H15BrN2O6/c1-11-2-5-13(8-15(11)20(23)24)19-16(21)9-26-17(22)10-25-14-6-3-12(18)4-7-14/h2-8H,9-10H2,1H3,(H,19,21)