N-[3-(3-imidazol-1-ylpropylamino)-1-(4-methoxyphenyl)-3-oxidanylidene-prop-1-en-2-yl]-4-nitro-benzamide

Systemtic Name: N-[3-(3-imidazol-1-ylpropylamino)-1-(4-methoxyphenyl)-3-oxidanylidene-prop-1-en-2-yl]-4-nitro-benzamide Openeye Name: N-[1-(3-imidazol-1-ylpropylcarbamoyl)-2-(4-methoxyphenyl)vinyl]-4-nitro-benzamide CAS Name: N-[3-[3-(1-imidazolyl)propylamino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide IUPAC Name: N-[3-(3-imidazol-1-ylpropylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide Traditional Name: N-[1-(3-imidazol-1-ylpropylcarbamoyl)-2-(4-methoxyphenyl)vinyl]-4-nitro-benzamide Formula: C23H23N5O5 MolecularWeight: 449.45922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C(=O)NCCCN2C=CN=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C=C(C(=O)NCCCN2C=CN=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O5/c1-33-20-9-3-17(4-10-20)15-21(23(30)25-11-2-13-27-14-12-24-16-27)26-22(29)18-5-7-19(8-6-18)28(31)32/h3-10,12,14-16H,2,11,13H2,1H3,(H,25,30)(H,26,29)