(4-nitrophenyl)methyl (E)-4-(piperidin-4-ylamino)but-2-enoate hydrochloride

Systemtic Name: (4-nitrophenyl)methyl (E)-4-(piperidin-4-ylamino)but-2-enoate hydrochloride Openeye Name: (4-nitrophenyl)methyl (E)-4-(4-piperidylamino)but-2-enoate hydrochloride CAS Name: (E)-4-(4-piperidinylamino)-2-butenoic acid (4-nitrophenyl)methyl ester hydrochloride IUPAC Name: (4-nitrophenyl)methyl (E)-4-(piperidin-4-ylamino)but-2-enoate hydrochloride Traditional Name: (E)-4-(4-piperidylamino)but-2-enoic acid (4-nitrobenzyl) ester hydrochloride Formula: C16H22ClN3O4 MolecularWeight: 355.81658

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1NCC=CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-].Cl

Isomeric SMILES

C1CNCCC1NC/C=C/C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C16H21N3O4.ClH/c20-16(2-1-9-18-14-7-10-17-11-8-14)23-12-13-3-5-15(6-4-13)19(21)22;/h1-6,14,17-18H,7-12H2;1H/b2-1+;