3-[(4-bromanyl-3,5-dinitro-phenyl)carbonylamino]benzoic acid

Systemtic Name: 3-[(4-bromanyl-3,5-dinitro-phenyl)carbonylamino]benzoic acid Openeye Name: 3-[(4-bromo-3,5-dinitro-benzoyl)amino]benzoic acid CAS Name: 3-[[(4-bromo-3,5-dinitrophenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(4-bromo-3,5-dinitrobenzoyl)amino]benzoic acid Traditional Name: 3-[(4-bromo-3,5-dinitro-benzoyl)amino]benzoic acid Formula: C14H8BrN3O7 MolecularWeight: 410.13322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8BrN3O7/c15-12-10(17(22)23)5-8(6-11(12)18(24)25)13(19)16-9-3-1-2-7(4-9)14(20)21/h1-6H,(H,16,19)(H,20,21)