(4-nitrophenyl)methyl (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: (4-nitrophenyl)methyl (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (4-nitrophenyl)methyl (E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-propenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)acrylic acid (4-nitrobenzyl) ester Formula: C17H12ClNO6 MolecularWeight: 361.73328

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C=CC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)/C=C/C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H12ClNO6/c18-14-7-12(8-15-17(14)25-10-24-15)3-6-16(20)23-9-11-1-4-13(5-2-11)19(21)22/h1-8H,9-10H2/b6-3+