(2-chloranyl-4-morpholin-4-ylcarbothioyl-phenyl) 4-chloranyl-2-nitro-benzoate

Systemtic Name: (2-chloranyl-4-morpholin-4-ylcarbothioyl-phenyl) 4-chloranyl-2-nitro-benzoate Openeye Name: [2-chloro-4-(morpholine-4-carbothioyl)phenyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [2-chloro-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-chloro-4-(morpholine-4-carbothioyl)phenyl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-chloro-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C18H14Cl2N2O5S MolecularWeight: 441.28516

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=S)C2=CC(=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1C(=S)C2=CC(=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H14Cl2N2O5S/c19-12-2-3-13(15(10-12)22(24)25)18(23)27-16-4-1-11(9-14(16)20)17(28)21-5-7-26-8-6-21/h1-4,9-10H,5-8H2