O1-methyl O3-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-(2-oxo-2-phenothiazin-10-yl-ethyl) 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: 1-O-methyl 3-O-(2-oxo-2-phenothiazin-10-ylethyl) 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(2-keto-2-phenothiazin-10-yl-ethyl) ester O1-methyl ester Formula: C23H16N2O7S MolecularWeight: 464.44734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C23H16N2O7S/c1-31-22(27)14-10-15(12-16(11-14)25(29)30)23(28)32-13-21(26)24-17-6-2-4-8-19(17)33-20-9-5-3-7-18(20)24/h2-12H,13H2,1H3