[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C16H12BrClN2O5 MolecularWeight: 427.63388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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