2-[4-[(E)-3-(4-ethyl-3-nitro-phenyl)prop-2-enoyl]phenoxy]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[(E)-3-(4-ethyl-3-nitro-phenyl)prop-2-enoyl]phenoxy]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[(E)-3-(4-ethyl-3-nitro-phenyl)prop-2-enoyl]phenoxy]-N,N-dimethyl-acetamide CAS Name: 2-[4-[(E)-3-(4-ethyl-3-nitrophenyl)-1-oxoprop-2-enyl]phenoxy]-N,N-dimethylacetamide IUPAC Name: 2-[4-[(E)-3-(4-ethyl-3-nitrophenyl)prop-2-enoyl]phenoxy]-N,N-dimethylacetamide Traditional Name: 2-[4-[(E)-3-(4-ethyl-3-nitro-phenyl)acryloyl]phenoxy]-N,N-dimethyl-acetamide Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)OCC(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)OCC(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5/c1-4-16-7-5-15(13-19(16)23(26)27)6-12-20(24)17-8-10-18(11-9-17)28-14-21(25)22(2)3/h5-13H,4,14H2,1-3H3/b12-6+