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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-methyl-2-nitro-benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C22H16N2O5S MolecularWeight: 420.43784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C22H16N2O5S/c1-14-7-6-8-15(21(14)24(27)28)22(26)29-13-20(25)23-16-9-2-4-11-18(16)30-19-12-5-3-10-17(19)23/h2-12H,13H2,1H3