(E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-en-1-one Formula: C19H17NO7 MolecularWeight: 371.34078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=CC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/C(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H17NO7/c1-25-18-10-12(9-14(19(18)22)20(23)24)3-5-15(21)13-4-6-16-17(11-13)27-8-2-7-26-16/h3-6,9-11,22H,2,7-8H2,1H3/b5-3+