(4-acetamidophenyl) 4-[bis(azanyl)methylideneamino]benzoate hydrochloride

Systemtic Name: (4-acetamidophenyl) 4-[bis(azanyl)methylideneamino]benzoate hydrochloride Openeye Name: (4-acetamidophenyl) 4-guanidinobenzoate hydrochloride CAS Name: 4-(diaminomethylideneamino)benzoic acid (4-acetamidophenyl) ester hydrochloride IUPAC Name: (4-acetamidophenyl) 4-(diaminomethylideneamino)benzoate hydrochloride Traditional Name: 4-guanidinobenzoic acid (4-acetamidophenyl) ester hydrochloride Formula: C16H17ClN4O3 MolecularWeight: 348.78418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N.Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N.Cl

InChI

InChI=1S/C16H16N4O3.ClH/c1-10(21)19-12-6-8-14(9-7-12)23-15(22)11-2-4-13(5-3-11)20-16(17)18;/h2-9H,1H3,(H,19,21)(H4,17,18,20);1H