3-[(1S,3R)-2-[(2,4-dinitrophenyl)hydrazinylidene]-3-methyl-cyclohexyl]propanenitrile

Systemtic Name: 3-[(1S,3R)-2-[(2,4-dinitrophenyl)hydrazinylidene]-3-methyl-cyclohexyl]propanenitrile Openeye Name: 3-[(1S,3R)-2-[(2,4-dinitrophenyl)hydrazono]-3-methyl-cyclohexyl]propanenitrile CAS Name: 3-[(1S,3R)-2-[(2,4-dinitrophenyl)hydrazinylidene]-3-methylcyclohexyl]propanenitrile IUPAC Name: 3-[(1S,3R)-2-[(2,4-dinitrophenyl)hydrazinylidene]-3-methylcyclohexyl]propanenitrile Traditional Name: 3-[(1S,3R)-2-[(2,4-dinitrophenyl)hydrazono]-3-methyl-cyclohexyl]propionitrile Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CCC#N

Isomeric SMILES

C[C@@H]1CCC[C@H](C1=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CCC#N

InChI

InChI=1S/C16H19N5O4/c1-11-4-2-5-12(6-3-9-17)16(11)19-18-14-8-7-13(20(22)23)10-15(14)21(24)25/h7-8,10-12,18H,2-6H2,1H3/t11-,12+/m1/s1