(1E,3E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-buta-1,3-dien-1-amine

Systemtic Name: (1E,3E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-buta-1,3-dien-1-amine Openeye Name: (1E,3E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-buta-1,3-dien-1-amine CAS Name: (1E,3E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-1-buta-1,3-dienamine IUPAC Name: (1E,3E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitrobuta-1,3-dien-1-amine Traditional Name: homoveratryl-[(1E,3E)-4-nitrobuta-1,3-dienyl]amine Formula: C14H18N2O4 MolecularWeight: 278.30372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC=CC=C[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN/C=C/C=C/[N+](=O)[O-])OC

InChI

InChI=1S/C14H18N2O4/c1-19-13-6-5-12(11-14(13)20-2)7-9-15-8-3-4-10-16(17)18/h3-6,8,10-11,15H,7,9H2,1-2H3/b8-3+,10-4+