(2-benzamidophenyl) 4-carbamimidoylbenzoate carbonate

Systemtic Name: (2-benzamidophenyl) 4-carbamimidoylbenzoate carbonate Openeye Name: (2-benzamidophenyl) 4-carbamimidoylbenzoate carbonate CAS Name: 4-carbamimidoylbenzoic acid (2-benzamidophenyl) ester carbonate IUPAC Name: (2-benzamidophenyl) 4-carbamimidoylbenzoate carbonate Traditional Name: 4-amidinobenzoic acid (2-benzamidophenyl) ester carbonate Formula: C22H17N3O6-2 MolecularWeight: 419.38688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC(=O)C3=CC=C(C=C3)C(=N)N.C(=O)([O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC(=O)C3=CC=C(C=C3)C(=N)N.C(=O)([O-])[O-]

InChI

InChI=1S/C21H17N3O3.CH2O3/c22-19(23)14-10-12-16(13-11-14)21(26)27-18-9-5-4-8-17(18)24-20(25)15-6-2-1-3-7-15;2-1(3)4/h1-13H,(H3,22,23)(H,24,25);(H2,2,3,4)/p-2