[2,6-bis(bromanyl)-4-morpholin-4-ylcarbothioyl-phenyl] 3-nitrobenzoate

Systemtic Name: [2,6-bis(bromanyl)-4-morpholin-4-ylcarbothioyl-phenyl] 3-nitrobenzoate Openeye Name: [2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2,6-dibromo-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate Traditional Name: 3-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/c19-14-9-12(17(28)21-4-6-26-7-5-21)10-15(20)16(14)27-18(23)11-2-1-3-13(8-11)22(24)25/h1-3,8-10H,4-7H2