lithium (2,6-dimethylphenyl)-[(Z)-1-isocyanato-3,3-dimethyl-1-phenyl-but-1-en-2-yl]azanide

Systemtic Name: lithium (2,6-dimethylphenyl)-[(Z)-1-isocyanato-3,3-dimethyl-1-phenyl-but-1-en-2-yl]azanide Openeye Name: lithium (2,6-dimethylphenyl)-[(1Z)-1-[isocyanato(phenyl)methylene]-2,2-dimethyl-propyl]azanide CAS Name: lithium (2,6-dimethylphenyl)-[(Z)-1-isocyanato-3,3-dimethyl-1-phenylbut-1-en-2-yl]azanide IUPAC Name: lithium (2,6-dimethylphenyl)-[(Z)-1-isocyanato-3,3-dimethyl-1-phenylbut-1-en-2-yl]azanide Traditional Name: lithium [(Z)-1-tert-butyl-2-isocyanato-2-phenyl-vinyl]-(2,6-dimethylphenyl)azanide Formula: C21H23LiN2O MolecularWeight: 326.36112

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC1=C(C(=CC=C1)C)[N-]C(=C(C2=CC=CC=C2)N=C=O)C(C)(C)C

Isomeric SMILES

[Li+].CC1=C(C(=CC=C1)C)[N-]/C(=C(/C2=CC=CC=C2)\N=C=O)/C(C)(C)C

InChI

InChI=1S/C21H23N2O.Li/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;/h6-13H,1-5H3;/q-1;+1/b20-19-;