(phenylmethyl) (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: (phenylmethyl) (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: benzyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylic acid benzyl ester Formula: C17H13NO6 MolecularWeight: 327.28822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO6/c19-17(22-10-12-4-2-1-3-5-12)7-6-13-8-15-16(24-11-23-15)9-14(13)18(20)21/h1-9H,10-11H2/b7-6+