phenanthridin-6-ylmethyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: phenanthridin-6-ylmethyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: phenanthridin-6-ylmethyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid phenanthridin-6-ylmethyl ester Formula: C22H16N2O6S MolecularWeight: 436.43724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N2O6S/c1-31(28,29)21-11-10-14(12-20(21)24(26)27)22(25)30-13-19-17-8-3-2-6-15(17)16-7-4-5-9-18(16)23-19/h2-12H,13H2,1H3