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

Systemtic Name: phenanthridin-6-ylmethyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: phenanthridin-6-ylmethyl (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 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl (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 phenanthridin-6-ylmethyl ester Formula: C24H16N2O6 MolecularWeight: 428.39364

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)OCC3=NC4=CC=CC=C4C5=CC=CC=C53)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)OCC3=NC4=CC=CC=C4C5=CC=CC=C53)[N+](=O)[O-]

InChI

InChI=1S/C24H16N2O6/c27-24(10-9-15-11-22-23(32-14-31-22)12-21(15)26(28)29)30-13-20-18-7-2-1-5-16(18)17-6-3-4-8-19(17)25-20/h1-12H,13-14H2/b10-9+