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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl)Br

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl)Br

InChI

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