[(6aS,10S,10aR)-10a-cyano-5-methyl-6-oxidanylidene-7,10-dihydro-6aH-phenanthridin-10-yl] ethanoate

Systemtic Name: [(6aS,10S,10aR)-10a-cyano-5-methyl-6-oxidanylidene-7,10-dihydro-6aH-phenanthridin-10-yl] ethanoate Openeye Name: [(6aS,10S,10aR)-10a-cyano-5-methyl-6-oxo-7,10-dihydro-6aH-phenanthridin-10-yl] acetate CAS Name: acetic acid [(6aS,10S,10aR)-10a-cyano-5-methyl-6-oxo-7,10-dihydro-6aH-phenanthridin-10-yl] ester IUPAC Name: [(6aS,10S,10aR)-10a-cyano-5-methyl-6-oxo-7,10-dihydro-6aH-phenanthridin-10-yl] acetate Traditional Name: acetic acid [(6aS,10S,10aR)-10a-cyano-6-keto-5-methyl-7,10-dihydro-6aH-phenanthridin-10-yl] ester Formula: C17H16N2O3 MolecularWeight: 296.32054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C=CCC2C1(C3=CC=CC=C3N(C2=O)C)C#N

Isomeric SMILES

CC(=O)O[C@H]1C=CC[C@H]2[C@@]1(C3=CC=CC=C3N(C2=O)C)C#N

InChI

InChI=1S/C17H16N2O3/c1-11(20)22-15-9-5-7-13-16(21)19(2)14-8-4-3-6-12(14)17(13,15)10-18/h3-6,8-9,13,15H,7H2,1-2H3/t13-,15+,17+/m1/s1