(4,4-diisocyanatocyclohexa-2,5-dien-1-yl)-phenyl-methanone

Systemtic Name: (4,4-diisocyanatocyclohexa-2,5-dien-1-yl)-phenyl-methanone Openeye Name: (4,4-diisocyanatocyclohexa-2,5-dien-1-yl)-phenyl-methanone CAS Name: (4,4-diisocyanato-1-cyclohexa-2,5-dienyl)-phenylmethanone IUPAC Name: (4,4-diisocyanatocyclohexa-2,5-dien-1-yl)-phenylmethanone Traditional Name: (4,4-diisocyanatocyclohexa-2,5-dien-1-yl)-phenyl-methanone Formula: C15H10N2O3 MolecularWeight: 266.2515

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2C=CC(C=C2)(N=C=O)N=C=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2C=CC(C=C2)(N=C=O)N=C=O

InChI

InChI=1S/C15H10N2O3/c18-10-16-15(17-11-19)8-6-13(7-9-15)14(20)12-4-2-1-3-5-12/h1-9,13H