methyl (2R,6S)-1-cyano-2,6-bis(2-nitrophenyl)-4-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl (2R,6S)-1-cyano-2,6-bis(2-nitrophenyl)-4-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl (2R,6S)-1-cyano-2,6-bis(2-nitrophenyl)-4-oxo-cyclohexanecarboxylate CAS Name: (2R,6S)-1-cyano-2,6-bis(2-nitrophenyl)-4-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (2R,6S)-1-cyano-2,6-bis(2-nitrophenyl)-4-oxocyclohexane-1-carboxylate Traditional Name: (2R,6S)-1-cyano-4-keto-2,6-bis(2-nitrophenyl)cyclohexanecarboxylic acid methyl ester Formula: C21H17N3O7 MolecularWeight: 423.37558

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(CC(=O)CC1C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3[N+](=O)[O-])C#N

Isomeric SMILES

COC(=O)C1([C@H](CC(=O)C[C@H]1C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3[N+](=O)[O-])C#N

InChI

InChI=1S/C21H17N3O7/c1-31-20(26)21(12-22)16(14-6-2-4-8-18(14)23(27)28)10-13(25)11-17(21)15-7-3-5-9-19(15)24(29)30/h2-9,16-17H,10-11H2,1H3/t16-,17+,21?