(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C28H17ClN2O6S MolecularWeight: 544.96238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C28H17ClN2O6S/c29-20-14-13-17(15-23(20)31(35)36)27(33)18-7-1-2-8-19(18)28(34)37-16-26(32)30-21-9-3-5-11-24(21)38-25-12-6-4-10-22(25)30/h1-15H,16H2