methyl 3-[4-[bis(azanyl)methylideneamino]phenyl]carbonyloxybenzoate hydrochloride

Systemtic Name: methyl 3-[4-[bis(azanyl)methylideneamino]phenyl]carbonyloxybenzoate hydrochloride Openeye Name: methyl 3-(4-guanidinobenzoyl)oxybenzoate hydrochloride CAS Name: 3-[[4-(diaminomethylideneamino)phenyl]-oxomethoxy]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[4-(diaminomethylideneamino)benzoyl]oxybenzoate hydrochloride Traditional Name: 3-(4-guanidinobenzoyl)oxybenzoic acid methyl ester hydrochloride Formula: C16H16ClN3O4 MolecularWeight: 349.76894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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