(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-chloranyl-5-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-chloranyl-5-nitro-benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C21H13ClN2O5S MolecularWeight: 440.85632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13ClN2O5S/c22-15-10-9-13(24(27)28)11-14(15)21(26)29-12-20(25)23-16-5-1-3-7-18(16)30-19-8-4-2-6-17(19)23/h1-11H,12H2