(3-morpholin-4-ylcarbothioylphenyl) 4-chloranyl-3-nitro-benzoate

Systemtic Name: (3-morpholin-4-ylcarbothioylphenyl) 4-chloranyl-3-nitro-benzoate Openeye Name: [3-(morpholine-4-carbothioyl)phenyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [3-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [3-(morpholine-4-carbothioyl)phenyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [3-(morpholine-4-carbothioyl)phenyl] ester Formula: C18H15ClN2O5S MolecularWeight: 406.8401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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