N-[(E)-1-(furan-2-yl)-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-en-2-yl]-4-nitro-benzamide

Systemtic Name: N-[(E)-1-(furan-2-yl)-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-en-2-yl]-4-nitro-benzamide Openeye Name: N-[(E)-1-(benzylcarbamoyl)-2-(2-furyl)vinyl]-4-nitro-benzamide CAS Name: N-[(E)-1-(2-furanyl)-3-oxo-3-[(phenylmethyl)amino]prop-1-en-2-yl]-4-nitrobenzamide IUPAC Name: N-[(E)-3-(benzylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide Traditional Name: N-[(E)-1-(benzylcarbamoyl)-2-(2-furyl)vinyl]-4-nitro-benzamide Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(=CC2=CC=CO2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O5/c25-20(16-8-10-17(11-9-16)24(27)28)23-19(13-18-7-4-12-29-18)21(26)22-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,22,26)(H,23,25)/b19-13+