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phenanthridin-6-ylmethyl 4,5-dimethoxy-2-nitro-benzoate

phenanthridin-6-ylmethyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name:phenanthridin-6-ylmethyl 4,5-dimethoxy-2-nitro-benzoate
Openeye Name:phenanthridin-6-ylmethyl 4,5-dimethoxy-2-nitro-benzoate
CAS Name:4,5-dimethoxy-2-nitrobenzoic acid 6-phenanthridinylmethyl ester
IUPAC Name:phenanthridin-6-ylmethyl 4,5-dimethoxy-2-nitrobenzoate
Traditional Name:4,5-dimethoxy-2-nitro-benzoic acid phenanthridin-6-ylmethyl ester
Formula: C23H18N2O6
MolecularWeight: 418.39882
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)[N+](=O)[O-])OC


Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)[N+](=O)[O-])OC


InChI

InChI=1S/C23H18N2O6/c1-29-21-11-17(20(25(27)28)12-22(21)30-2)23(26)31-13-19-16-9-4-3-7-14(16)15-8-5-6-10-18(15)24-19/h3-12H,13H2,1-2H3


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