(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(2-nitrophenoxy)ethanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(2-nitrophenoxy)ethanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-(2-nitrophenoxy)acetate CAS Name: 2-(2-nitrophenoxy)acetic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-(2-nitrophenoxy)acetate Traditional Name: 2-(2-nitrophenoxy)acetic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C22H16N2O6S MolecularWeight: 436.43724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)COC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)COC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O6S/c25-21(13-30-22(26)14-29-18-10-4-1-7-15(18)24(27)28)23-16-8-2-5-11-19(16)31-20-12-6-3-9-17(20)23/h1-12H,13-14H2