(E)-3-(2,4-dimethyl-3,5-dinitro-phenyl)prop-2-enenitrile

Systemtic Name: (E)-3-(2,4-dimethyl-3,5-dinitro-phenyl)prop-2-enenitrile Openeye Name: (E)-3-(2,4-dimethyl-3,5-dinitro-phenyl)prop-2-enenitrile CAS Name: (E)-3-(2,4-dimethyl-3,5-dinitrophenyl)-2-propenenitrile IUPAC Name: (E)-3-(2,4-dimethyl-3,5-dinitrophenyl)prop-2-enenitrile Traditional Name: (E)-3-(2,4-dimethyl-3,5-dinitro-phenyl)acrylonitrile Formula: C11H9N3O4 MolecularWeight: 247.20686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C=CC#N)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1/C=C/C#N)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O4/c1-7-9(4-3-5-12)6-10(13(15)16)8(2)11(7)14(17)18/h3-4,6H,1-2H3/b4-3+