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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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