[(1-azanyl-1-azanylidene-3-ethoxy-3-oxidanylidene-propan-2-yl)-methyl-carbamoyl] benzoate hydrochloride

Systemtic Name: [(1-azanyl-1-azanylidene-3-ethoxy-3-oxidanylidene-propan-2-yl)-methyl-carbamoyl] benzoate hydrochloride Openeye Name: [(1-carbamimidoyl-2-ethoxy-2-oxo-ethyl)-methyl-carbamoyl] benzoate hydrochloride CAS Name: benzoic acid [[(1-amino-3-ethoxy-1-imino-3-oxopropan-2-yl)-methylamino]-oxomethyl] ester hydrochloride IUPAC Name: [(1-amino-3-ethoxy-1-imino-3-oxopropan-2-yl)-methylcarbamoyl] benzoate hydrochloride Traditional Name: benzoic acid [(1-amidino-2-ethoxy-2-keto-ethyl)-methyl-carbamoyl] ester hydrochloride Formula: C14H18ClN3O5 MolecularWeight: 343.76282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O5.ClH/c1-3-21-13(19)10(11(15)16)17(2)14(20)22-12(18)9-7-5-4-6-8-9;/h4-8,10H,3H2,1-2H3,(H3,15,16);1H