N,N-diethyl-3-[2-(4-nitro-2-prop-2-enyl-phenoxy)ethanoylamino]benzamide

Systemtic Name: N,N-diethyl-3-[2-(4-nitro-2-prop-2-enyl-phenoxy)ethanoylamino]benzamide Openeye Name: 3-[[2-(2-allyl-4-nitro-phenoxy)acetyl]amino]-N,N-diethyl-benzamide CAS Name: N,N-diethyl-3-[[2-(4-nitro-2-prop-2-enylphenoxy)-1-oxoethyl]amino]benzamide IUPAC Name: N,N-diethyl-3-[[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]amino]benzamide Traditional Name: 3-[[2-(2-allyl-4-nitro-phenoxy)acetyl]amino]-N,N-diethyl-benzamide Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])CC=C

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])CC=C

InChI

InChI=1S/C22H25N3O5/c1-4-8-16-14-19(25(28)29)11-12-20(16)30-15-21(26)23-18-10-7-9-17(13-18)22(27)24(5-2)6-3/h4,7,9-14H,1,5-6,8,15H2,2-3H3,(H,23,26)