(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C21H18N4O5S MolecularWeight: 438.45642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O5S/c1-13-21(25(28)29)14(2)23(22-13)11-20(27)30-12-19(26)24-15-7-3-5-9-17(15)31-18-10-6-4-8-16(18)24/h3-10H,11-12H2,1-2H3