(4-nitrophenyl)methyl 2-(piperidin-4-ylamino)but-3-enoate hydrochloride

Systemtic Name: (4-nitrophenyl)methyl 2-(piperidin-4-ylamino)but-3-enoate hydrochloride Openeye Name: (4-nitrophenyl)methyl 2-(4-piperidylamino)but-3-enoate hydrochloride CAS Name: 2-(4-piperidinylamino)-3-butenoic acid (4-nitrophenyl)methyl ester hydrochloride IUPAC Name: (4-nitrophenyl)methyl 2-(piperidin-4-ylamino)but-3-enoate hydrochloride Traditional Name: 2-(4-piperidylamino)but-3-enoic acid (4-nitrobenzyl) ester hydrochloride Formula: C16H22ClN3O4 MolecularWeight: 355.81658

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC2CCNCC2.Cl

Isomeric SMILES

C=CC(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC2CCNCC2.Cl

InChI

InChI=1S/C16H21N3O4.ClH/c1-2-15(18-13-7-9-17-10-8-13)16(20)23-11-12-3-5-14(6-4-12)19(21)22;/h2-6,13,15,17-18H,1,7-11H2;1H