2-[2-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]benzoate

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]benzoate Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-3-pyridyl]benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-3-pyridinyl]benzoate IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-3-pyridyl]benzoate Formula: C20H15N4O3- MolecularWeight: 359.3581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O3/c21-18(22)12-7-9-13(10-8-12)24-19(25)17-15(6-3-11-23-17)14-4-1-2-5-16(14)20(26)27/h1-11H,(H3,21,22)(H,24,25)(H,26,27)/p-1