ethyl (2E)-1-(2-cyanoethyl)-2-[(2,4-dinitrophenyl)hydrazinylidene]cyclohexane-1-carboxylate

Systemtic Name: ethyl (2E)-1-(2-cyanoethyl)-2-[(2,4-dinitrophenyl)hydrazinylidene]cyclohexane-1-carboxylate Openeye Name: ethyl (2E)-1-(2-cyanoethyl)-2-[(2,4-dinitrophenyl)hydrazono]cyclohexanecarboxylate CAS Name: (2E)-1-(2-cyanoethyl)-2-[(2,4-dinitrophenyl)hydrazinylidene]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (2E)-1-(2-cyanoethyl)-2-[(2,4-dinitrophenyl)hydrazinylidene]cyclohexane-1-carboxylate Traditional Name: (2E)-1-(2-cyanoethyl)-2-[(2,4-dinitrophenyl)hydrazono]cyclohexanecarboxylic acid ethyl ester Formula: C18H21N5O6 MolecularWeight: 403.38924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCCC1=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CCC#N

Isomeric SMILES

CCOC(=O)C\1(CCCC/C1=N\NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CCC#N

InChI

InChI=1S/C18H21N5O6/c1-2-29-17(24)18(10-5-11-19)9-4-3-6-16(18)21-20-14-8-7-13(22(25)26)12-15(14)23(27)28/h7-8,12,20H,2-6,9-10H2,1H3/b21-16+