2-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(2-chloro-10-phenothiazinyl)-2-oxoethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C22H12ClN3O5S MolecularWeight: 465.86578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)C(=O)CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)C(=O)CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H12ClN3O5S/c23-12-5-8-19-17(9-12)25(16-3-1-2-4-18(16)32-19)20(27)11-24-21(28)14-7-6-13(26(30)31)10-15(14)22(24)29/h1-10H,11H2