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

Systemtic Name: [2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-(2-chloro-5-nitro-anilino)-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-(2-chloro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-nitroanilino)-2-oxoethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-(2-chloro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C15H9BrClN3O7 MolecularWeight: 458.60486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)[N+](=O)[O-])Br

InChI

InChI=1S/C15H9BrClN3O7/c16-10-3-1-8(5-13(10)20(25)26)15(22)27-7-14(21)18-12-6-9(19(23)24)2-4-11(12)17/h1-6H,7H2,(H,18,21)