(Z)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide

Systemtic Name: (Z)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide Openeye Name: (Z)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)-3-[5-(3-nitrophenyl)-2-furyl]prop-2-enamide CAS Name: (Z)-2-cyano-N-[2-(4-morpholin-4-iumyl)ethyl]-3-[5-(3-nitrophenyl)-2-furanyl]-2-propenamide IUPAC Name: (Z)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide Traditional Name: (Z)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)-3-[5-(3-nitrophenyl)-2-furyl]acrylamide Formula: C20H21N4O5+ MolecularWeight: 397.40454

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)/C(=C\C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])/C#N

InChI

InChI=1S/C20H20N4O5/c21-14-16(20(25)22-6-7-23-8-10-28-11-9-23)13-18-4-5-19(29-18)15-2-1-3-17(12-15)24(26)27/h1-5,12-13H,6-11H2,(H,22,25)/p+1/b16-13-