(4-nitrophenyl) 6-azanyl-2-(phenylmethoxycarbonylamino)hexanoate hydrochloride

Systemtic Name: (4-nitrophenyl) 6-azanyl-2-(phenylmethoxycarbonylamino)hexanoate hydrochloride Openeye Name: (4-nitrophenyl) 6-amino-2-(benzyloxycarbonylamino)hexanoate hydrochloride CAS Name: 6-amino-2-(phenylmethoxycarbonylamino)hexanoic acid (4-nitrophenyl) ester hydrochloride IUPAC Name: (4-nitrophenyl) 6-amino-2-(phenylmethoxycarbonylamino)hexanoate hydrochloride Traditional Name: 6-amino-2-(benzyloxycarbonylamino)hexanoic acid (4-nitrophenyl) ester hydrochloride Formula: C20H24ClN3O6 MolecularWeight: 437.87406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCCN)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCCCN)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C20H23N3O6.ClH/c21-13-5-4-8-18(22-20(25)28-14-15-6-2-1-3-7-15)19(24)29-17-11-9-16(10-12-17)23(26)27;/h1-3,6-7,9-12,18H,4-5,8,13-14,21H2,(H,22,25);1H