2-[(E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl]oxyethyl-diethyl-azanium

Systemtic Name: 2-[(E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl]oxyethyl-diethyl-azanium Openeye Name: 2-[(E)-2-cyano-3-[5-(3-nitrophenyl)-2-furyl]prop-2-enoyl]oxyethyl-diethyl-ammonium CAS Name: 2-[(E)-2-cyano-3-[5-(3-nitrophenyl)-2-furanyl]-1-oxoprop-2-enoxy]ethyl-diethylammonium IUPAC Name: 2-[(E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl]oxyethyl-diethylazanium Traditional Name: 2-[(E)-2-cyano-3-[5-(3-nitrophenyl)-2-furyl]acryloyl]oxyethyl-diethyl-ammonium Formula: C20H22N3O5+ MolecularWeight: 384.40578

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C(=CC1=CC=C(O1)C2=CC(=CC=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC[NH+](CC)CCOC(=O)/C(=C/C1=CC=C(O1)C2=CC(=CC=C2)[N+](=O)[O-])/C#N

InChI

InChI=1S/C20H21N3O5/c1-3-22(4-2)10-11-27-20(24)16(14-21)13-18-8-9-19(28-18)15-6-5-7-17(12-15)23(25)26/h5-9,12-13H,3-4,10-11H2,1-2H3/p+1/b16-13+