2-(isocyanatomethyl)-2-methyl-indene-1,3-dione

Systemtic Name: 2-(isocyanatomethyl)-2-methyl-indene-1,3-dione Openeye Name: 2-(isocyanatomethyl)-2-methyl-indane-1,3-dione CAS Name: 2-(isocyanatomethyl)-2-methylindene-1,3-dione IUPAC Name: 2-(isocyanatomethyl)-2-methylindene-1,3-dione Traditional Name: 2-(isocyanatomethyl)-2-methyl-indane-1,3-quinone Formula: C12H9NO3 MolecularWeight: 215.20476

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C2=CC=CC=C2C1=O)CN=C=O

Isomeric SMILES

CC1(C(=O)C2=CC=CC=C2C1=O)CN=C=O

InChI

InChI=1S/C12H9NO3/c1-12(6-13-7-14)10(15)8-4-2-3-5-9(8)11(12)16/h2-5H,6H2,1H3