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

Systemtic Name: O1-ethyl O3-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-(2-oxo-2-phenothiazin-10-yl-ethyl) 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: 1-O-ethyl 3-O-(2-oxo-2-phenothiazin-10-ylethyl) 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-(2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C24H18N2O7S MolecularWeight: 478.47392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18N2O7S/c1-2-32-23(28)15-11-16(13-17(12-15)26(30)31)24(29)33-14-22(27)25-18-7-3-5-9-20(18)34-21-10-6-4-8-19(21)25/h3-13H,2,14H2,1H3