ethyl (E)-3-[2-nitro-5-(4-oxidanylpiperidin-1-yl)phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[2-nitro-5-(4-oxidanylpiperidin-1-yl)phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[5-(4-hydroxy-1-piperidyl)-2-nitro-phenyl]prop-2-enoate CAS Name: (E)-3-[5-(4-hydroxy-1-piperidinyl)-2-nitrophenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[5-(4-hydroxypiperidin-1-yl)-2-nitrophenyl]prop-2-enoate Traditional Name: (E)-3-[5-(4-hydroxypiperidino)-2-nitro-phenyl]acrylic acid ethyl ester Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C(C=CC(=C1)N2CCC(CC2)O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)/C=C/C1=C(C=CC(=C1)N2CCC(CC2)O)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O5/c1-2-23-16(20)6-3-12-11-13(4-5-15(12)18(21)22)17-9-7-14(19)8-10-17/h3-6,11,14,19H,2,7-10H2,1H3/b6-3+