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

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(4-chloranyl-3-nitro-phenyl)prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(4-chloro-3-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(4-chloro-3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(4-chloro-3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(4-chloro-3-nitro-phenyl)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/c17-12-4-3-11(8-13(12)18(20)21)14(19)5-1-10-2-6-15-16(7-10)23-9-22-15/h1-8H,9H2/b5-1+