methyl 4-[[3-(aminocarbonylhydrazinylidene)-4-azanyl-butyl]-methyl-amino]benzoate hydrochloride

Systemtic Name: methyl 4-[[3-(aminocarbonylhydrazinylidene)-4-azanyl-butyl]-methyl-amino]benzoate hydrochloride Openeye Name: methyl 4-[[4-amino-3-(carbamoylhydrazono)butyl]-methyl-amino]benzoate hydrochloride CAS Name: 4-[[4-amino-3-(carbamoylhydrazinylidene)butyl]-methylamino]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[4-amino-3-(carbamoylhydrazinylidene)butyl]-methylamino]benzoate hydrochloride Traditional Name: 4-[(4-amino-3-semicarbazono-butyl)-methyl-amino]benzoic acid methyl ester hydrochloride Formula: C14H22ClN5O3 MolecularWeight: 343.80918

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=NNC(=O)N)CN)C1=CC=C(C=C1)C(=O)OC.Cl

Isomeric SMILES

CN(CCC(=NNC(=O)N)CN)C1=CC=C(C=C1)C(=O)OC.Cl

InChI

InChI=1S/C14H21N5O3.ClH/c1-19(8-7-11(9-15)17-18-14(16)21)12-5-3-10(4-6-12)13(20)22-2;/h3-6H,7-9,15H2,1-2H3,(H3,16,18,21);1H