(5Z)-2-isocyanato-5-(phenylmethylidene)cyclohexa-1,3-diene

Systemtic Name: (5Z)-2-isocyanato-5-(phenylmethylidene)cyclohexa-1,3-diene Openeye Name: (5Z)-5-benzylidene-2-isocyanato-cyclohexa-1,3-diene CAS Name: (5Z)-2-isocyanato-5-(phenylmethylene)cyclohexa-1,3-diene IUPAC Name: (5Z)-5-benzylidene-2-isocyanatocyclohexa-1,3-diene Traditional Name: (5Z)-5-benzal-2-isocyanato-cyclohexa-1,3-diene Formula: C14H11NO MolecularWeight: 209.24324

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=CC1=CC2=CC=CC=C2)N=C=O

Isomeric SMILES

C\1C=C(C=C/C1=C\C2=CC=CC=C2)N=C=O

InChI

InChI=1S/C14H11NO/c16-11-15-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-6,8-10H,7H2/b13-10+