(E)-3-(1,3-benzodioxol-5-yl)-1-(2-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(2-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(2-nitrophenyl)prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(2-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(2-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(2-nitrophenyl)prop-2-en-1-one Formula: C16H11NO5 MolecularWeight: 297.26224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11NO5/c18-14(12-3-1-2-4-13(12)17(19)20)7-5-11-6-8-15-16(9-11)22-10-21-15/h1-9H,10H2/b7-5+