4-nitro-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)isoindole-1,3-dione

Systemtic Name: 4-nitro-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)isoindole-1,3-dione Openeye Name: 4-nitro-2-(2-oxo-2-phenothiazin-10-yl-ethyl)isoindoline-1,3-dione CAS Name: 4-nitro-2-[2-oxo-2-(10-phenothiazinyl)ethyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-(2-oxo-2-phenothiazin-10-ylethyl)isoindole-1,3-dione Traditional Name: 2-(2-keto-2-phenothiazin-10-yl-ethyl)-4-nitro-isoindoline-1,3-quinone Formula: C22H13N3O5S MolecularWeight: 431.42072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H13N3O5S/c26-19(12-23-21(27)13-6-5-9-16(25(29)30)20(13)22(23)28)24-14-7-1-3-10-17(14)31-18-11-4-2-8-15(18)24/h1-11H,12H2