(4-nitrophenyl) 6-[bis(azanyl)methylideneamino]hexanoate hydrochloride

Systemtic Name: (4-nitrophenyl) 6-[bis(azanyl)methylideneamino]hexanoate hydrochloride Openeye Name: (4-nitrophenyl) 6-guanidinohexanoate hydrochloride CAS Name: 6-(diaminomethylideneamino)hexanoic acid (4-nitrophenyl) ester hydrochloride IUPAC Name: (4-nitrophenyl) 6-(diaminomethylideneamino)hexanoate hydrochloride Traditional Name: 6-guanidinohexanoic acid (4-nitrophenyl) ester hydrochloride Formula: C13H19ClN4O4 MolecularWeight: 330.76736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CCCCCN=C(N)N.Cl

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CCCCCN=C(N)N.Cl

InChI

InChI=1S/C13H18N4O4.ClH/c14-13(15)16-9-3-1-2-4-12(18)21-11-7-5-10(6-8-11)17(19)20;/h5-8H,1-4,9H2,(H4,14,15,16);1H