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

Systemtic Name: (4-methoxycarbonylphenyl) 4-[bis(azanyl)methylideneamino]benzoate hydrochloride Openeye Name: (4-methoxycarbonylphenyl) 4-guanidinobenzoate hydrochloride CAS Name: 4-(diaminomethylideneamino)benzoic acid (4-methoxycarbonylphenyl) ester hydrochloride IUPAC Name: (4-methoxycarbonylphenyl) 4-(diaminomethylideneamino)benzoate hydrochloride Traditional Name: 4-guanidinobenzoic acid (4-carbomethoxyphenyl) ester hydrochloride Formula: C16H16ClN3O4 MolecularWeight: 349.76894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4.ClH/c1-22-14(20)10-4-8-13(9-5-10)23-15(21)11-2-6-12(7-3-11)19-16(17)18;/h2-9H,1H3,(H4,17,18,19);1H