(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-(2-hydroxyethylamino)-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-(2-hydroxyethylamino)-3-nitro-benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-(2-hydroxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-hydroxyethylamino)-3-nitrobenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-(2-hydroxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-hydroxyethylamino)-3-nitro-benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C23H19N3O6S MolecularWeight: 465.47846

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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(=C(C=C4)NCCO)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O6S/c27-12-11-24-16-10-9-15(13-19(16)26(30)31)23(29)32-14-22(28)25-17-5-1-3-7-20(17)33-21-8-4-2-6-18(21)25/h1-10,13,24,27H,11-12,14H2