methyl (E)-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: methyl (E)-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-3-(4-nitrophenyl)prop-2-enoate Openeye Name: methyl (E)-2-[[2-(hydroxymethyl)-1-piperidyl]methyl]-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-2-[[2-(hydroxymethyl)-1-piperidinyl]methyl]-3-(4-nitrophenyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-2-[(2-methylolpiperidino)methyl]-3-(4-nitrophenyl)acrylic acid methyl ester Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC=C(C=C1)[N+](=O)[O-])CN2CCCCC2CO

Isomeric SMILES

COC(=O)/C(=C/C1=CC=C(C=C1)[N+](=O)[O-])/CN2CCCCC2CO

InChI

InChI=1S/C17H22N2O5/c1-24-17(21)14(11-18-9-3-2-4-16(18)12-20)10-13-5-7-15(8-6-13)19(22)23/h5-8,10,16,20H,2-4,9,11-12H2,1H3/b14-10+