[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC(=O)C=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O6/c24-19(15-28-21(25)9-7-18-6-8-20(29-18)23(26)27)22-12-10-17(11-13-22)14-16-4-2-1-3-5-16/h1-9,17H,10-15H2/b9-7+