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

Systemtic Name: (4-nitrophenyl)methyl (E)-4-(piperidin-4-ylamino)but-2-enoate Openeye Name: (4-nitrophenyl)methyl (E)-4-(4-piperidylamino)but-2-enoate CAS Name: (E)-4-(4-piperidinylamino)-2-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (E)-4-(piperidin-4-ylamino)but-2-enoate Traditional Name: (E)-4-(4-piperidylamino)but-2-enoic acid (4-nitrobenzyl) ester Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4/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/b2-1+