methyl (3S)-5-cyano-3-methyl-1,4,6-tris(oxidanylidene)-2,3-dihydro-2-benzazocine-5-carboxylate

Systemtic Name: methyl (3S)-5-cyano-3-methyl-1,4,6-tris(oxidanylidene)-2,3-dihydro-2-benzazocine-5-carboxylate Openeye Name: methyl (3S)-5-cyano-3-methyl-1,4,6-trioxo-2,3-dihydro-2-benzazocine-5-carboxylate CAS Name: (3S)-5-cyano-3-methyl-1,4,6-trioxo-2,3-dihydro-2-benzazocine-5-carboxylic acid methyl ester IUPAC Name: methyl (3S)-5-cyano-3-methyl-1,4,6-trioxo-2,3-dihydro-2-benzazocine-5-carboxylate Traditional Name: (3S)-5-cyano-1,4,6-triketo-3-methyl-2,3-dihydro-2-benzazocine-5-carboxylic acid methyl ester Formula: C15H12N2O5 MolecularWeight: 300.26618

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C(C(=O)C2=CC=CC=C2C(=O)N1)(C#N)C(=O)OC

Isomeric SMILES

C[C@H]1C(=O)C(C(=O)C2=CC=CC=C2C(=O)N1)(C#N)C(=O)OC

InChI

InChI=1S/C15H12N2O5/c1-8-11(18)15(7-16,14(21)22-2)12(19)9-5-3-4-6-10(9)13(20)17-8/h3-6,8H,1-2H3,(H,17,20)/t8-,15?/m0/s1