(2,6-dinitrophenyl)methyl 1-[(2,6-dinitrophenyl)amino]cyclohexane-1-carboxylate

Systemtic Name: (2,6-dinitrophenyl)methyl 1-[(2,6-dinitrophenyl)amino]cyclohexane-1-carboxylate Openeye Name: (2,6-dinitrophenyl)methyl 1-(2,6-dinitroanilino)cyclohexanecarboxylate CAS Name: 1-(2,6-dinitroanilino)-1-cyclohexanecarboxylic acid (2,6-dinitrophenyl)methyl ester IUPAC Name: (2,6-dinitrophenyl)methyl 1-(2,6-dinitroanilino)cyclohexane-1-carboxylate Traditional Name: 1-(2,6-dinitroanilino)cyclohexanecarboxylic acid (2,6-dinitrobenzyl) ester Formula: C20H19N5O10 MolecularWeight: 489.39236

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)OCC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-])NC3=C(C=CC=C3[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)(C(=O)OCC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-])NC3=C(C=CC=C3[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O10/c26-19(35-12-13-14(22(27)28)6-4-7-15(13)23(29)30)20(10-2-1-3-11-20)21-18-16(24(31)32)8-5-9-17(18)25(33)34/h4-9,21H,1-3,10-12H2