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

Systemtic Name: (4-ethanoylphenyl) 4-[bis(azanyl)methylideneamino]benzoate hydrochloride Openeye Name: (4-acetylphenyl) 4-guanidinobenzoate hydrochloride CAS Name: 4-(diaminomethylideneamino)benzoic acid (4-acetylphenyl) ester hydrochloride IUPAC Name: (4-acetylphenyl) 4-(diaminomethylideneamino)benzoate hydrochloride Traditional Name: 4-guanidinobenzoic acid (4-acetylphenyl) ester hydrochloride Formula: C16H16ClN3O3 MolecularWeight: 333.76954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3.ClH/c1-10(20)11-4-8-14(9-5-11)22-15(21)12-2-6-13(7-3-12)19-16(17)18;/h2-9H,1H3,(H4,17,18,19);1H