[4-carbamimidoyl-2-(phenylcarbonyl)phenyl] 4-oxidanylbenzoate hydrobromide

Systemtic Name: [4-carbamimidoyl-2-(phenylcarbonyl)phenyl] 4-oxidanylbenzoate hydrobromide Openeye Name: (2-benzoyl-4-carbamimidoyl-phenyl) 4-hydroxybenzoate hydrobromide CAS Name: 4-hydroxybenzoic acid (2-benzoyl-4-carbamimidoylphenyl) ester hydrobromide IUPAC Name: (2-benzoyl-4-carbamimidoylphenyl) 4-hydroxybenzoate hydrobromide Traditional Name: 4-hydroxybenzoic acid (4-amidino-2-benzoyl-phenyl) ester hydrobromide Formula: C21H17BrN2O4 MolecularWeight: 441.27468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)C(=N)N)OC(=O)C3=CC=C(C=C3)O.Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)C(=N)N)OC(=O)C3=CC=C(C=C3)O.Br

InChI

InChI=1S/C21H16N2O4.BrH/c22-20(23)15-8-11-18(27-21(26)14-6-9-16(24)10-7-14)17(12-15)19(25)13-4-2-1-3-5-13;/h1-12,24H,(H3,22,23);1H