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

Systemtic Name: (4-acetamidophenyl) 4-[bis(azanyl)methylideneamino]benzoate chloride Openeye Name: (4-acetamidophenyl) 4-guanidinobenzoate chloride CAS Name: 4-(diaminomethylideneamino)benzoic acid (4-acetamidophenyl) ester chloride IUPAC Name: (4-acetamidophenyl) 4-(diaminomethylideneamino)benzoate chloride Traditional Name: 4-guanidinobenzoic acid (4-acetamidophenyl) ester chloride Formula: C16H16ClN4O3- MolecularWeight: 347.77624

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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/p-1