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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-methyl-4-nitro-benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-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=C(C=CC(=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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