N-[(Z)-1-isocyanato-3,3-dimethyl-1-phenyl-but-1-en-2-yl]-2,6-dimethyl-aniline

Systemtic Name: N-[(Z)-1-isocyanato-3,3-dimethyl-1-phenyl-but-1-en-2-yl]-2,6-dimethyl-aniline Openeye Name: N-[(1Z)-1-[isocyanato(phenyl)methylene]-2,2-dimethyl-propyl]-2,6-dimethyl-aniline CAS Name: N-[(Z)-1-isocyanato-3,3-dimethyl-1-phenylbut-1-en-2-yl]-2,6-dimethylaniline IUPAC Name: N-[(Z)-1-isocyanato-3,3-dimethyl-1-phenylbut-1-en-2-yl]-2,6-dimethylaniline Traditional Name: [(Z)-1-tert-butyl-2-isocyanato-2-phenyl-vinyl]-(2,6-dimethylphenyl)amine Formula: C21H24N2O MolecularWeight: 320.42806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=C(C2=CC=CC=C2)N=C=O)C(C)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N/C(=C(/C2=CC=CC=C2)\N=C=O)/C(C)(C)C

InChI

InChI=1S/C21H24N2O/c1-15-10-9-11-16(2)18(15)23-20(21(3,4)5)19(22-14-24)17-12-7-6-8-13-17/h6-13,23H,1-5H3/b20-19-