(4-bromanyl-2-morpholin-4-ylcarbothioyl-phenyl) 3,5-dinitrobenzoate

Systemtic Name: (4-bromanyl-2-morpholin-4-ylcarbothioyl-phenyl) 3,5-dinitrobenzoate Openeye Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-bromo-2-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-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=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

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