(4-morpholin-4-ylcarbothioylphenyl) 2-chloranyl-4-nitro-benzoate

Systemtic Name: (4-morpholin-4-ylcarbothioylphenyl) 2-chloranyl-4-nitro-benzoate Openeye Name: [4-(morpholine-4-carbothioyl)phenyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-(morpholine-4-carbothioyl)phenyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [4-(morpholine-4-carbothioyl)phenyl] ester Formula: C18H15ClN2O5S MolecularWeight: 406.8401

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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)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O5S/c19-16-11-13(21(23)24)3-6-15(16)18(22)26-14-4-1-12(2-5-14)17(27)20-7-9-25-10-8-20/h1-6,11H,7-10H2