[[(E)-(2-acetamidoethylamino)methylideneamino]methylamino] benzoate dihydrochloride

Systemtic Name: [[(E)-(2-acetamidoethylamino)methylideneamino]methylamino] benzoate dihydrochloride Openeye Name: [[(E)-(2-acetamidoethylamino)methyleneamino]methylamino] benzoate dihydrochloride CAS Name: benzoic acid [[(E)-(2-acetamidoethylamino)methylideneamino]methylamino] ester dihydrochloride IUPAC Name: [[(E)-(2-acetamidoethylamino)methylideneamino]methylamino] benzoate dihydrochloride Traditional Name: benzoic acid [[(E)-(2-acetamidoethylamino)methyleneamino]methylamino] ester dihydrochloride Formula: C13H20Cl2N4O3 MolecularWeight: 351.2289

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC=NCNOC(=O)C1=CC=CC=C1.Cl.Cl

Isomeric SMILES

CC(=O)NCCN/C=N/CNOC(=O)C1=CC=CC=C1.Cl.Cl

InChI

InChI=1S/C13H18N4O3.2ClH/c1-11(18)16-8-7-14-9-15-10-17-20-13(19)12-5-3-2-4-6-12;;/h2-6,9,17H,7-8,10H2,1H3,(H,14,15)(H,16,18);2*1H