4a-(2-azidoethyl)-8-chloranyl-5,6-dimethoxy-2,4,9,10-tetrahydrophenanthren-3-one

Systemtic Name: 4a-(2-azidoethyl)-8-chloranyl-5,6-dimethoxy-2,4,9,10-tetrahydrophenanthren-3-one Openeye Name: 4a-(2-azidoethyl)-8-chloro-5,6-dimethoxy-2,4,9,10-tetrahydrophenanthren-3-one CAS Name: 4a-(2-azidoethyl)-8-chloro-5,6-dimethoxy-2,4,9,10-tetrahydrophenanthren-3-one IUPAC Name: 4a-(2-azidoethyl)-8-chloro-5,6-dimethoxy-2,4,9,10-tetrahydrophenanthren-3-one Traditional Name: 4a-(2-azidoethyl)-8-chloro-5,6-dimethoxy-2,4,9,10-tetrahydrophenanthren-3-one Formula: C18H20ClN3O3 MolecularWeight: 361.8227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2CCC3=CCC(=O)CC3(C2=C1OC)CCN=[N+]=[N-])Cl

Isomeric SMILES

COC1=CC(=C2CCC3=CCC(=O)CC3(C2=C1OC)CCN=[N+]=[N-])Cl

InChI

InChI=1S/C18H20ClN3O3/c1-24-15-9-14(19)13-6-4-11-3-5-12(23)10-18(11,7-8-21-22-20)16(13)17(15)25-2/h3,9H,4-8,10H2,1-2H3