(3-morpholin-4-ylcarbothioylphenyl) 4-nitrobenzoate

Systemtic Name: (3-morpholin-4-ylcarbothioylphenyl) 4-nitrobenzoate Openeye Name: [3-(morpholine-4-carbothioyl)phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [3-(morpholine-4-carbothioyl)phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-(morpholine-4-carbothioyl)phenyl] ester Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O5S/c21-18(13-4-6-15(7-5-13)20(22)23)25-16-3-1-2-14(12-16)17(26)19-8-10-24-11-9-19/h1-7,12H,8-11H2