tert-butyl-(3-isocyanatophenyl)-(oxidanylidenemethylidene)azanium

Systemtic Name: tert-butyl-(3-isocyanatophenyl)-(oxidanylidenemethylidene)azanium Openeye Name: tert-butyl-(3-isocyanatophenyl)-(oxomethylene)ammonium CAS Name: tert-butyl-(3-isocyanatophenyl)-(oxomethylidene)ammonium IUPAC Name: tert-butyl-(3-isocyanatophenyl)-(oxomethylidene)azanium Traditional Name: tert-butyl-(3-isocyanatophenyl)-(ketomethylene)ammonium Formula: C12H13N2O2+ MolecularWeight: 217.24382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+](=C=O)C1=CC=CC(=C1)N=C=O

Isomeric SMILES

CC(C)(C)[N+](=C=O)C1=CC=CC(=C1)N=C=O

InChI

InChI=1S/C12H13N2O2/c1-12(2,3)14(9-16)11-6-4-5-10(7-11)13-8-15/h4-7H,1-3H3/q+1