3-(benzamidomethyl)-5-bromanyl-2-(3,5-dinitrophenyl)carbonyloxy-benzoic acid

Systemtic Name: 3-(benzamidomethyl)-5-bromanyl-2-(3,5-dinitrophenyl)carbonyloxy-benzoic acid Openeye Name: 3-(benzamidomethyl)-5-bromo-2-(3,5-dinitrobenzoyl)oxy-benzoic acid CAS Name: 3-(benzamidomethyl)-5-bromo-2-[(3,5-dinitrophenyl)-oxomethoxy]benzoic acid IUPAC Name: 3-(benzamidomethyl)-5-bromo-2-(3,5-dinitrobenzoyl)oxybenzoic acid Traditional Name: 3-(benzamidomethyl)-5-bromo-2-(3,5-dinitrobenzoyl)oxy-benzoic acid Formula: C22H14BrN3O9 MolecularWeight: 544.26526

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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-])[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-])[N+](=O)[O-]

InChI

InChI=1S/C22H14BrN3O9/c23-15-6-14(11-24-20(27)12-4-2-1-3-5-12)19(18(9-15)21(28)29)35-22(30)13-7-16(25(31)32)10-17(8-13)26(33)34/h1-10H,11H2,(H,24,27)(H,28,29)