[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl] 2-nitrobenzoate

Systemtic Name: [2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-(2-chloro-10-phenothiazinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-chlorophenothiazin-10-yl)-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl] ester Formula: C21H13ClN2O5S MolecularWeight: 440.85632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)[N+](=O)[O-]

InChI

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