N-[(E)-3-(3-imidazol-1-ylpropylamino)-1-(3-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]furan-2-carboxamide

Systemtic Name: N-[(E)-3-(3-imidazol-1-ylpropylamino)-1-(3-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]furan-2-carboxamide Openeye Name: N-[(E)-1-(3-imidazol-1-ylpropylcarbamoyl)-2-(3-nitrophenyl)vinyl]furan-2-carboxamide CAS Name: N-[(E)-3-[3-(1-imidazolyl)propylamino]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-furancarboxamide IUPAC Name: N-[(E)-3-(3-imidazol-1-ylpropylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide Traditional Name: N-[(E)-1-(3-imidazol-1-ylpropylcarbamoyl)-2-(3-nitrophenyl)vinyl]-2-furamide Formula: C20H19N5O5 MolecularWeight: 409.39536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=C(C(=O)NCCCN2C=CN=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C(\C(=O)NCCCN2C=CN=C2)/NC(=O)C3=CC=CO3

InChI

InChI=1S/C20H19N5O5/c26-19(22-7-3-9-24-10-8-21-14-24)17(23-20(27)18-6-2-11-30-18)13-15-4-1-5-16(12-15)25(28)29/h1-2,4-6,8,10-14H,3,7,9H2,(H,22,26)(H,23,27)/b17-13+