4-(2,2-diisocyanoethenyl)-N-ethyl-3-methyl-N-phenethyl-aniline

Systemtic Name: 4-(2,2-diisocyanoethenyl)-N-ethyl-3-methyl-N-phenethyl-aniline Openeye Name: 4-(2,2-diisocyanovinyl)-N-ethyl-3-methyl-N-phenethyl-aniline CAS Name: 4-(2,2-diisocyanoethenyl)-N-ethyl-3-methyl-N-phenethylaniline IUPAC Name: 4-(2,2-diisocyanoethenyl)-N-ethyl-3-methyl-N-phenethylaniline Traditional Name: [4-(2,2-diisocyanovinyl)-3-methyl-phenyl]-ethyl-phenethyl-amine Formula: C21H21N3 MolecularWeight: 315.41154

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC1=CC=CC=C1)C2=CC(=C(C=C2)C=C([N+]#[C-])[N+]#[C-])C

Isomeric SMILES

CCN(CCC1=CC=CC=C1)C2=CC(=C(C=C2)C=C([N+]#[C-])[N+]#[C-])C

InChI

InChI=1S/C21H21N3/c1-5-24(14-13-18-9-7-6-8-10-18)20-12-11-19(17(2)15-20)16-21(22-3)23-4/h6-12,15-16H,5,13-14H2,1-2H3