ethyl 4-[[(3Z)-3-(aminocarbonylhydrazinylidene)-4-azanyl-butyl]-ethanoyl-amino]benzoate chloride

Systemtic Name: ethyl 4-[[(3Z)-3-(aminocarbonylhydrazinylidene)-4-azanyl-butyl]-ethanoyl-amino]benzoate chloride Openeye Name: ethyl 4-[acetyl-[(3Z)-4-amino-3-(carbamoylhydrazono)butyl]amino]benzoate chloride CAS Name: 4-[acetyl-[(3Z)-4-amino-3-(carbamoylhydrazinylidene)butyl]amino]benzoic acid ethyl ester chloride IUPAC Name: ethyl 4-[acetyl-[(3Z)-4-amino-3-(carbamoylhydrazinylidene)butyl]amino]benzoate chloride Traditional Name: 4-[acetyl-[(3Z)-4-amino-3-semicarbazono-butyl]amino]benzoic acid ethyl ester chloride Formula: C16H23ClN5O4- MolecularWeight: 384.83792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CCC(=NNC(=O)N)CN)C(=O)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC/C(=N/NC(=O)N)/CN)C(=O)C.[Cl-]

InChI

InChI=1S/C16H23N5O4.ClH/c1-3-25-15(23)12-4-6-14(7-5-12)21(11(2)22)9-8-13(10-17)19-20-16(18)24;/h4-7H,3,8-10,17H2,1-2H3,(H3,18,20,24);1H/p-1/b19-13-;