(4-bromanyl-2-morpholin-4-ylcarbothioyl-phenyl) 2,4-dinitrobenzoate

Systemtic Name: (4-bromanyl-2-morpholin-4-ylcarbothioyl-phenyl) 2,4-dinitrobenzoate Openeye Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [4-bromo-2-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [4-bromo-2-(morpholine-4-carbothioyl)phenyl] ester Formula: C18H14BrN3O7S MolecularWeight: 496.28866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN3O7S/c19-11-1-4-16(14(9-11)17(30)20-5-7-28-8-6-20)29-18(23)13-3-2-12(21(24)25)10-15(13)22(26)27/h1-4,9-10H,5-8H2