3-(benzamidomethyl)-5-bromanyl-2-(2-nitrophenyl)carbonyloxy-benzoic acid

Systemtic Name: 3-(benzamidomethyl)-5-bromanyl-2-(2-nitrophenyl)carbonyloxy-benzoic acid Openeye Name: 3-(benzamidomethyl)-5-bromo-2-(2-nitrobenzoyl)oxy-benzoic acid CAS Name: 3-(benzamidomethyl)-5-bromo-2-[(2-nitrophenyl)-oxomethoxy]benzoic acid IUPAC Name: 3-(benzamidomethyl)-5-bromo-2-(2-nitrobenzoyl)oxybenzoic acid Traditional Name: 3-(benzamidomethyl)-5-bromo-2-(2-nitrobenzoyl)oxy-benzoic acid Formula: C22H15BrN2O7 MolecularWeight: 499.2677

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC2=C(C(=CC(=C2)Br)C(=O)O)OC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC2=C(C(=CC(=C2)Br)C(=O)O)OC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H15BrN2O7/c23-15-10-14(12-24-20(26)13-6-2-1-3-7-13)19(17(11-15)21(27)28)32-22(29)16-8-4-5-9-18(16)25(30)31/h1-11H,12H2,(H,24,26)(H,27,28)