(4-bromanyl-2-morpholin-4-ylcarbothioyl-phenyl) 4-methyl-3,5-dinitro-benzoate

Systemtic Name: (4-bromanyl-2-morpholin-4-ylcarbothioyl-phenyl) 4-methyl-3,5-dinitro-benzoate Openeye Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [4-bromo-2-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [4-bromo-2-(morpholine-4-carbothioyl)phenyl] ester Formula: C19H16BrN3O7S MolecularWeight: 510.31524

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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=C2)Br)C(=S)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=C(C=C(C=C2)Br)C(=S)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H16BrN3O7S/c1-11-15(22(25)26)8-12(9-16(11)23(27)28)19(24)30-17-3-2-13(20)10-14(17)18(31)21-4-6-29-7-5-21/h2-3,8-10H,4-7H2,1H3