[1-[(3-nitrophenyl)methyl]piperidin-3-yl]methyl (E)-3-phenylprop-2-enoate

Systemtic Name: [1-[(3-nitrophenyl)methyl]piperidin-3-yl]methyl (E)-3-phenylprop-2-enoate Openeye Name: [1-[(3-nitrophenyl)methyl]-3-piperidyl]methyl (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [1-[(3-nitrophenyl)methyl]-3-piperidinyl]methyl ester IUPAC Name: [1-[(3-nitrophenyl)methyl]piperidin-3-yl]methyl (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [1-(3-nitrobenzyl)-3-piperidyl]methyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC(=CC=C2)[N+](=O)[O-])COC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CC(CN(C1)CC2=CC(=CC=C2)[N+](=O)[O-])COC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4/c25-22(12-11-18-6-2-1-3-7-18)28-17-20-9-5-13-23(16-20)15-19-8-4-10-21(14-19)24(26)27/h1-4,6-8,10-12,14,20H,5,9,13,15-17H2/b12-11+