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

Systemtic Name: (4-nitrophenyl) 6-[bis(azanyl)methylideneamino]hexanoate Openeye Name: (4-nitrophenyl) 6-guanidinohexanoate CAS Name: 6-(diaminomethylideneamino)hexanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 6-(diaminomethylideneamino)hexanoate Traditional Name: 6-guanidinohexanoic acid (4-nitrophenyl) ester Formula: C13H18N4O4 MolecularWeight: 294.30642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O4/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)