(4-nitrophenyl)methyl 6-azanyl-2-(cyclopropylamino)hexanoate

Systemtic Name: (4-nitrophenyl)methyl 6-azanyl-2-(cyclopropylamino)hexanoate Openeye Name: (4-nitrophenyl)methyl 6-amino-2-(cyclopropylamino)hexanoate CAS Name: 6-amino-2-(cyclopropylamino)hexanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 6-amino-2-(cyclopropylamino)hexanoate Traditional Name: 6-amino-2-(cyclopropylamino)hexanoic acid (4-nitrobenzyl) ester Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(CCCCN)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(CCCCN)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O4/c17-10-2-1-3-15(18-13-6-7-13)16(20)23-11-12-4-8-14(9-5-12)19(21)22/h4-5,8-9,13,15,18H,1-3,6-7,10-11,17H2