(4-bromanyl-2-morpholin-4-ylcarbothioyl-phenyl) 4-nitrobenzoate

Systemtic Name: (4-bromanyl-2-morpholin-4-ylcarbothioyl-phenyl) 4-nitrobenzoate Openeye Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-bromo-2-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-bromo-2-(morpholine-4-carbothioyl)phenyl] ester Formula: C18H15BrN2O5S MolecularWeight: 451.2911

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN2O5S/c19-13-3-6-16(15(11-13)17(27)20-7-9-25-10-8-20)26-18(22)12-1-4-14(5-2-12)21(23)24/h1-6,11H,7-10H2