2-[2-[(3-carbamimidoylphenyl)carbamoyl]phenyl]benzoate

Systemtic Name: 2-[2-[(3-carbamimidoylphenyl)carbamoyl]phenyl]benzoate Openeye Name: 2-[2-[(3-carbamimidoylphenyl)carbamoyl]phenyl]benzoate CAS Name: 2-[2-[(3-carbamimidoylanilino)-oxomethyl]phenyl]benzoate IUPAC Name: 2-[2-[(3-carbamimidoylphenyl)carbamoyl]phenyl]benzoate Traditional Name: 2-[2-[(3-amidinophenyl)carbamoyl]phenyl]benzoate Formula: C21H16N3O3- MolecularWeight: 358.37004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)[O-])C(=O)NC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)[O-])C(=O)NC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C21H17N3O3/c22-19(23)13-6-5-7-14(12-13)24-20(25)17-10-3-1-8-15(17)16-9-2-4-11-18(16)21(26)27/h1-12H,(H3,22,23)(H,24,25)(H,26,27)/p-1