(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C23H19N3O5S MolecularWeight: 449.47906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O5S/c1-24(2)16-12-11-15(13-19(16)26(29)30)23(28)31-14-22(27)25-17-7-3-5-9-20(17)32-21-10-6-4-8-18(21)25/h3-13H,14H2,1-2H3