(E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one CAS Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one Formula: C17H13NO6 MolecularWeight: 327.28822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C=CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)/C=C/C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13NO6/c1-22-15-7-11(8-16-17(15)24-10-23-16)5-6-14(19)12-3-2-4-13(9-12)18(20)21/h2-9H,10H2,1H3/b6-5+