[4-carbamimidoyl-2-(phenylcarbonyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate carbonate

Systemtic Name: [4-carbamimidoyl-2-(phenylcarbonyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate carbonate Openeye Name: (2-benzoyl-4-carbamimidoyl-phenyl) 4-guanidinobenzoate carbonate CAS Name: 4-(diaminomethylideneamino)benzoic acid (2-benzoyl-4-carbamimidoylphenyl) ester carbonate IUPAC Name: (2-benzoyl-4-carbamimidoylphenyl) 4-(diaminomethylideneamino)benzoate carbonate Traditional Name: 4-guanidinobenzoic acid (4-amidino-2-benzoyl-phenyl) ester carbonate Formula: C23H19N5O6-2 MolecularWeight: 461.42686

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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)N=C(N)N.C(=O)([O-])[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O3.CH2O3/c23-20(24)15-8-11-18(17(12-15)19(28)13-4-2-1-3-5-13)30-21(29)14-6-9-16(10-7-14)27-22(25)26;2-1(3)4/h1-12H,(H3,23,24)(H4,25,26,27);(H2,2,3,4)/p-2