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

Systemtic Name: methyl (2R,6S)-1-cyano-2,6-bis(4-nitrophenyl)-4-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl (2R,6S)-1-cyano-2,6-bis(4-nitrophenyl)-4-oxo-cyclohexanecarboxylate CAS Name: (2R,6S)-1-cyano-2,6-bis(4-nitrophenyl)-4-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (2R,6S)-1-cyano-2,6-bis(4-nitrophenyl)-4-oxocyclohexane-1-carboxylate Traditional Name: (2R,6S)-1-cyano-4-keto-2,6-bis(4-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=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O7/c1-31-20(26)21(12-22)18(13-2-6-15(7-3-13)23(27)28)10-17(25)11-19(21)14-4-8-16(9-5-14)24(29)30/h2-9,18-19H,10-11H2,1H3/t18-,19+,21?