tert-butyl 2-[2-(2-azanylethylamino)ethylamino]-3-[(4-nitrophenyl)methoxy]propanoate

Systemtic Name: tert-butyl 2-[2-(2-azanylethylamino)ethylamino]-3-[(4-nitrophenyl)methoxy]propanoate Openeye Name: tert-butyl 2-[2-(2-aminoethylamino)ethylamino]-3-[(4-nitrophenyl)methoxy]propanoate CAS Name: 2-[2-(2-aminoethylamino)ethylamino]-3-[(4-nitrophenyl)methoxy]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(2-aminoethylamino)ethylamino]-3-[(4-nitrophenyl)methoxy]propanoate Traditional Name: 2-[2-(2-aminoethylamino)ethylamino]-3-(4-nitrobenzyl)oxy-propionic acid tert-butyl ester Formula: C18H30N4O5 MolecularWeight: 382.4546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(COCC1=CC=C(C=C1)[N+](=O)[O-])NCCNCCN

Isomeric SMILES

CC(C)(C)OC(=O)C(COCC1=CC=C(C=C1)[N+](=O)[O-])NCCNCCN

InChI

InChI=1S/C18H30N4O5/c1-18(2,3)27-17(23)16(21-11-10-20-9-8-19)13-26-12-14-4-6-15(7-5-14)22(24)25/h4-7,16,20-21H,8-13,19H2,1-3H3