methyl (1S,2S)-2-[(2,4-dinitrophenyl)amino]cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2S)-2-[(2,4-dinitrophenyl)amino]cyclohexane-1-carboxylate Openeye Name: methyl (1S,2S)-2-(2,4-dinitroanilino)cyclohexanecarboxylate CAS Name: (1S,2S)-2-(2,4-dinitroanilino)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S)-2-(2,4-dinitroanilino)cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-(2,4-dinitroanilino)cyclohexanecarboxylic acid methyl ester Formula: C14H17N3O6 MolecularWeight: 323.30128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCC1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H]1CCCC[C@@H]1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O6/c1-23-14(18)10-4-2-3-5-11(10)15-12-7-6-9(16(19)20)8-13(12)17(21)22/h6-8,10-11,15H,2-5H2,1H3/t10-,11-/m0/s1