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

Systemtic Name: (E)-3-(1,3-benzodioxol-4-yl)-1-(4-chloranyl-3-nitro-phenyl)prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-4-yl)-1-(4-chloro-3-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-4-yl)-1-(4-chloro-3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-4-yl)-1-(4-chloro-3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-4-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=CC=CC(=C2O1)C=CC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1OC2=CC=CC(=C2O1)/C=C/C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H10ClNO5/c17-12-6-4-11(8-13(12)18(20)21)14(19)7-5-10-2-1-3-15-16(10)23-9-22-15/h1-8H,9H2/b7-5+