(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-nitrobenzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-nitrobenzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C21H14N2O5S MolecularWeight: 406.41126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N2O5S/c24-20(13-28-21(25)14-7-1-2-8-15(14)23(26)27)22-16-9-3-5-11-18(16)29-19-12-6-4-10-17(19)22/h1-12H,13H2