3-[(1S,2R)-2-[(E)-N-(2,4-dinitrophenoxy)-C-methyl-carbonimidoyl]cyclohexyl]phenol

Systemtic Name: 3-[(1S,2R)-2-[(E)-N-(2,4-dinitrophenoxy)-C-methyl-carbonimidoyl]cyclohexyl]phenol Openeye Name: 3-[(1S,2R)-2-[(E)-N-(2,4-dinitrophenoxy)-C-methyl-carbonimidoyl]cyclohexyl]phenol CAS Name: 3-[(1S,2R)-2-[(1E)-1-(2,4-dinitrophenoxy)iminoethyl]cyclohexyl]phenol IUPAC Name: 3-[(1S,2R)-2-[(E)-N-(2,4-dinitrophenoxy)-C-methylcarbonimidoyl]cyclohexyl]phenol Traditional Name: 3-[(1S,2R)-2-[(E)-N-(2,4-dinitrophenoxy)-C-methyl-carbonimidoyl]cyclohexyl]phenol Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2CCCCC2C3=CC(=CC=C3)O

Isomeric SMILES

C/C(=N\OC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/[C@@H]2CCCC[C@@H]2C3=CC(=CC=C3)O

InChI

InChI=1S/C20H21N3O6/c1-13(17-7-2-3-8-18(17)14-5-4-6-16(24)11-14)21-29-20-10-9-15(22(25)26)12-19(20)23(27)28/h4-6,9-12,17-18,24H,2-3,7-8H2,1H3/b21-13+/t17-,18+/m0/s1