(4-nitrophenyl)methyl 2-(1,4-diazepan-1-yl)ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-(1,4-diazepan-1-yl)ethanoate Openeye Name: (4-nitrophenyl)methyl 2-(1,4-diazepan-1-yl)acetate CAS Name: 2-(1,4-diazepan-1-yl)acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(1,4-diazepan-1-yl)acetate Traditional Name: 2-(1,4-diazepan-1-yl)acetic acid (4-nitrobenzyl) ester Formula: C14H19N3O4 MolecularWeight: 293.31836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O4/c18-14(10-16-8-1-6-15-7-9-16)21-11-12-2-4-13(5-3-12)17(19)20/h2-5,15H,1,6-11H2