(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C23H18N2O7S MolecularWeight: 466.46322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)[N+](=O)[O-])OC

InChI

InChI=1S/C23H18N2O7S/c1-30-18-11-14(17(25(28)29)12-19(18)31-2)23(27)32-13-22(26)24-15-7-3-5-9-20(15)33-21-10-6-4-8-16(21)24/h3-12H,13H2,1-2H3