(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl (E)-3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C19H16ClNO6 MolecularWeight: 389.78644

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])Cl)OC1

InChI

InChI=1S/C19H16ClNO6/c20-16-10-14(11-17-19(16)26-9-1-8-25-17)12-27-18(22)7-4-13-2-5-15(6-3-13)21(23)24/h2-7,10-11H,1,8-9,12H2/b7-4+