[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-azanyl-5-oxidanyl-benzoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-azanyl-5-oxidanyl-benzoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 2-amino-5-hydroxy-benzoate CAS Name: 2-amino-5-hydroxybenzoic acid [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 2-amino-5-hydroxybenzoate Traditional Name: 2-amino-5-hydroxy-benzoic acid [2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H16BrN3O6 MolecularWeight: 486.27224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC(=O)C3=C(C=CC(=C3)O)N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC(=O)C3=C(C=CC(=C3)O)N

InChI

InChI=1S/C21H16BrN3O6/c22-16-10-13(25(29)30)6-9-18(16)24-20(27)19(12-4-2-1-3-5-12)31-21(28)15-11-14(26)7-8-17(15)23/h1-11,19,26H,23H2,(H,24,27)