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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-(methylamino)-3-nitro-benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C22H17N3O5S MolecularWeight: 435.45248

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O5S/c1-23-15-11-10-14(12-18(15)25(28)29)22(27)30-13-21(26)24-16-6-2-4-8-19(16)31-20-9-5-3-7-17(20)24/h2-12,23H,13H2,1H3