4a-isocyanato-6-methoxy-4,9,10,10a-tetrahydro-1H-phenanthrene

Systemtic Name: 4a-isocyanato-6-methoxy-4,9,10,10a-tetrahydro-1H-phenanthrene Openeye Name: 4a-isocyanato-6-methoxy-4,9,10,10a-tetrahydro-1H-phenanthrene CAS Name: 4a-isocyanato-6-methoxy-4,9,10,10a-tetrahydro-1H-phenanthrene IUPAC Name: 4a-isocyanato-6-methoxy-4,9,10,10a-tetrahydro-1H-phenanthrene Traditional Name: 4a-isocyanato-6-methoxy-4,9,10,10a-tetrahydro-1H-phenanthrene Formula: C16H17NO2 MolecularWeight: 255.31168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCC3C2(CC=CC3)N=C=O)C=C1

Isomeric SMILES

COC1=CC2=C(CCC3C2(CC=CC3)N=C=O)C=C1

InChI

InChI=1S/C16H17NO2/c1-19-14-8-6-12-5-7-13-4-2-3-9-16(13,17-11-18)15(12)10-14/h2-3,6,8,10,13H,4-5,7,9H2,1H3