ethyl (3aR,4S)-4-methyl-6-oxidanylidene-3a,4-dihydro-3H-pyrazolo[1,5-a][4,1]benzoxazepine-2-carboxylate

Systemtic Name: ethyl (3aR,4S)-4-methyl-6-oxidanylidene-3a,4-dihydro-3H-pyrazolo[1,5-a][4,1]benzoxazepine-2-carboxylate Openeye Name: ethyl (3aR,4S)-4-methyl-6-oxo-3a,4-dihydro-3H-pyrazolo[1,5-a][4,1]benzoxazepine-2-carboxylate CAS Name: (3aR,4S)-4-methyl-6-oxo-3a,4-dihydro-3H-pyrazolo[1,5-a][4,1]benzoxazepine-2-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,4S)-4-methyl-6-oxo-3a,4-dihydro-3H-pyrazolo[1,5-a][4,1]benzoxazepine-2-carboxylate Traditional Name: (3aR,4S)-6-keto-4-methyl-3a,4-dihydro-3H-pyrazolo[1,5-a][4,1]benzoxazepine-2-carboxylic acid ethyl ester Formula: C15H16N2O4 MolecularWeight: 288.29854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN2C(C1)C(OC(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C1=NN2[C@H](C1)[C@@H](OC(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C15H16N2O4/c1-3-20-15(19)11-8-13-9(2)21-14(18)10-6-4-5-7-12(10)17(13)16-11/h4-7,9,13H,3,8H2,1-2H3/t9-,13+/m0/s1