ethyl 2-[4-[bis(azanyl)methylideneamino]phenyl]carbonyloxybenzoate hydrochloride

Systemtic Name: ethyl 2-[4-[bis(azanyl)methylideneamino]phenyl]carbonyloxybenzoate hydrochloride Openeye Name: ethyl 2-(4-guanidinobenzoyl)oxybenzoate hydrochloride CAS Name: 2-[[4-(diaminomethylideneamino)phenyl]-oxomethoxy]benzoic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[4-(diaminomethylideneamino)benzoyl]oxybenzoate hydrochloride Traditional Name: 2-(4-guanidinobenzoyl)oxybenzoic acid ethyl ester hydrochloride Formula: C17H18ClN3O4 MolecularWeight: 363.79552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1OC(=O)C2=CC=C(C=C2)N=C(N)N.Cl

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1OC(=O)C2=CC=C(C=C2)N=C(N)N.Cl

InChI

InChI=1S/C17H17N3O4.ClH/c1-2-23-16(22)13-5-3-4-6-14(13)24-15(21)11-7-9-12(10-8-11)20-17(18)19;/h3-10H,2H2,1H3,(H4,18,19,20);1H