[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-chloranyl-benzoate

Systemtic Name: [2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-chloranyl-benzoate Openeye Name: [2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl] 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic acid [2-(2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [2-keto-2-(2-methyl-4-nitro-anilino)ethyl] ester Formula: C16H12BrClN2O5 MolecularWeight: 427.63388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrClN2O5/c1-9-6-11(20(23)24)3-5-14(9)19-15(21)8-25-16(22)12-7-10(17)2-4-13(12)18/h2-7H,8H2,1H3,(H,19,21)