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

Systemtic Name: (E)-1-(4-chlorophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-chlorophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one CAS Name: (E)-1-(4-chlorophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propen-1-one IUPAC Name: (E)-1-(4-chlorophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-chlorophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one Formula: C16H10ClNO5 MolecularWeight: 331.7073

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClNO5/c17-12-4-1-10(2-5-12)14(19)6-3-11-7-15-16(23-9-22-15)8-13(11)18(20)21/h1-8H,9H2/b6-3+