(E)-2-(4-chlorophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-chlorophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile Openeye Name: (E)-2-(4-chlorophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile CAS Name: (E)-2-(4-chlorophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile IUPAC Name: (E)-2-(4-chlorophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile Traditional Name: (E)-2-(4-chlorophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylonitrile Formula: C16H9ClN2O4 MolecularWeight: 328.70666

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C(/C#N)\C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H9ClN2O4/c17-13-3-1-10(2-4-13)12(8-18)5-11-6-15-16(23-9-22-15)7-14(11)19(20)21/h1-7H,9H2/b12-5-