2-[4-bromanyl-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoic acid

Systemtic Name: 2-[4-bromanyl-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoic acid Openeye Name: 2-[4-bromo-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoic acid CAS Name: 2-[4-bromo-2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]benzoic acid IUPAC Name: 2-[4-bromo-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-bromo-phenyl]benzoic acid Formula: C21H16BrN3O3 MolecularWeight: 438.27404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(C=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(C=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C21H16BrN3O3/c22-13-7-10-16(15-3-1-2-4-17(15)21(27)28)18(11-13)20(26)25-14-8-5-12(6-9-14)19(23)24/h1-11H,(H3,23,24)(H,25,26)(H,27,28)