N-[(E)-3-(2-morpholin-4-ium-4-ylethylamino)-1-(4-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]furan-2-carboxamide

Systemtic Name: N-[(E)-3-(2-morpholin-4-ium-4-ylethylamino)-1-(4-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]furan-2-carboxamide Openeye Name: N-[(E)-1-(2-morpholin-4-ium-4-ylethylcarbamoyl)-2-(4-nitrophenyl)vinyl]furan-2-carboxamide CAS Name: N-[(E)-3-[2-(4-morpholin-4-iumyl)ethylamino]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-furancarboxamide IUPAC Name: N-[(E)-3-(2-morpholin-4-ium-4-ylethylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide Traditional Name: N-[(E)-1-(2-morpholin-4-ium-4-ylethylcarbamoyl)-2-(4-nitrophenyl)vinyl]-2-furamide Formula: C20H23N4O6+ MolecularWeight: 415.41982

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CO3

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC=CO3

InChI

InChI=1S/C20H22N4O6/c25-19(21-7-8-23-9-12-29-13-10-23)17(22-20(26)18-2-1-11-30-18)14-15-3-5-16(6-4-15)24(27)28/h1-6,11,14H,7-10,12-13H2,(H,21,25)(H,22,26)/p+1/b17-14+