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

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-tris(oxidanyl)benzoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C15H11BrN2O8 MolecularWeight: 427.16044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrN2O8/c16-9-5-8(18(24)25)1-2-10(9)17-13(21)6-26-15(23)7-3-11(19)14(22)12(20)4-7/h1-5,19-20,22H,6H2,(H,17,21)