methyl 3-nitro-5-phenothiazin-10-ylcarbonyl-benzoate

Systemtic Name: methyl 3-nitro-5-phenothiazin-10-ylcarbonyl-benzoate Openeye Name: methyl 3-nitro-5-(phenothiazine-10-carbonyl)benzoate CAS Name: 3-nitro-5-[oxo(10-phenothiazinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-(phenothiazine-10-carbonyl)benzoate Traditional Name: 3-nitro-5-(phenothiazine-10-carbonyl)benzoic acid methyl ester Formula: C21H14N2O5S MolecularWeight: 406.41126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N2O5S/c1-28-21(25)14-10-13(11-15(12-14)23(26)27)20(24)22-16-6-2-4-8-18(16)29-19-9-5-3-7-17(19)22/h2-12H,1H3