[2,6-bis(bromanyl)-4-morpholin-4-ylcarbothioyl-phenyl] 2-nitrobenzoate

Systemtic Name: [2,6-bis(bromanyl)-4-morpholin-4-ylcarbothioyl-phenyl] 2-nitrobenzoate Openeye Name: [2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2,6-dibromo-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C18H14Br2N2O5S MolecularWeight: 530.18716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14Br2N2O5S/c19-13-9-11(17(28)21-5-7-26-8-6-21)10-14(20)16(13)27-18(23)12-3-1-2-4-15(12)22(24)25/h1-4,9-10H,5-8H2