[2,6-bis(bromanyl)-4-morpholin-4-ylcarbothioyl-phenyl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [2,6-bis(bromanyl)-4-morpholin-4-ylcarbothioyl-phenyl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [2,6-dibromo-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C19H15Br2N3O7S MolecularWeight: 589.2113

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=C(C=C(C=C2Br)C(=S)N3CCOCC3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=C(C=C(C=C2Br)C(=S)N3CCOCC3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H15Br2N3O7S/c1-10-15(23(26)27)8-12(9-16(10)24(28)29)19(25)31-17-13(20)6-11(7-14(17)21)18(32)22-2-4-30-5-3-22/h6-9H,2-5H2,1H3