phenanthridin-6-ylmethyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: phenanthridin-6-ylmethyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: phenanthridin-6-ylmethyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid phenanthridin-6-ylmethyl ester Formula: C22H14N2O6 MolecularWeight: 402.35636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14N2O6/c25-22(16-9-20-21(30-12-29-20)10-19(16)24(26)27)28-11-18-15-7-2-1-5-13(15)14-6-3-4-8-17(14)23-18/h1-10H,11-12H2