(4-morpholin-4-ylcarbothioylphenyl) 2-nitrobenzoate

Systemtic Name: (4-morpholin-4-ylcarbothioylphenyl) 2-nitrobenzoate Openeye Name: [4-(morpholine-4-carbothioyl)phenyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-(morpholine-4-carbothioyl)phenyl] 2-nitrobenzoate Traditional Name: 2-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(15-3-1-2-4-16(15)20(22)23)25-14-7-5-13(6-8-14)17(26)19-9-11-24-12-10-19/h1-8H,9-12H2