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

Systemtic Name: phenyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: phenyl (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 phenyl ester IUPAC Name: phenyl (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 phenyl ester Formula: C16H11NO6 MolecularWeight: 313.26164

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)OC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)OC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11NO6/c18-16(23-12-4-2-1-3-5-12)7-6-11-8-14-15(22-10-21-14)9-13(11)17(19)20/h1-9H,10H2/b7-6+