(4-bromanyl-2-morpholin-4-ylcarbothioyl-phenyl) 3-nitrobenzoate

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

Isomeric SMILES

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

InChI

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