(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-nitrobenzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-nitrobenzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C21H14N2O5S MolecularWeight: 406.41126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N2O5S/c24-20(13-28-21(25)14-6-5-7-15(12-14)23(26)27)22-16-8-1-3-10-18(16)29-19-11-4-2-9-17(19)22/h1-12H,13H2