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

Systemtic Name: N-[(E)-1-(4-methoxyphenyl)-3-oxidanylidene-3-(prop-2-enylamino)prop-1-en-2-yl]-4-nitro-benzamide Openeye Name: N-[(E)-1-(allylcarbamoyl)-2-(4-methoxyphenyl)vinyl]-4-nitro-benzamide CAS Name: N-[(E)-1-(4-methoxyphenyl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]-4-nitrobenzamide IUPAC Name: N-[(E)-1-(4-methoxyphenyl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]-4-nitrobenzamide Traditional Name: N-[(E)-1-(allylcarbamoyl)-2-(4-methoxyphenyl)vinyl]-4-nitro-benzamide Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C(=O)NCC=C)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C(=O)NCC=C)/NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5/c1-3-12-21-20(25)18(13-14-4-10-17(28-2)11-5-14)22-19(24)15-6-8-16(9-7-15)23(26)27/h3-11,13H,1,12H2,2H3,(H,21,25)(H,22,24)/b18-13+