(3-morpholin-4-ylcarbothioylphenyl) 4-methyl-3,5-dinitro-benzoate

Systemtic Name: (3-morpholin-4-ylcarbothioylphenyl) 4-methyl-3,5-dinitro-benzoate Openeye Name: [3-(morpholine-4-carbothioyl)phenyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [3-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [3-(morpholine-4-carbothioyl)phenyl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [3-(morpholine-4-carbothioyl)phenyl] ester Formula: C19H17N3O7S MolecularWeight: 431.41918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O7S/c1-12-16(21(24)25)10-14(11-17(12)22(26)27)19(23)29-15-4-2-3-13(9-15)18(30)20-5-7-28-8-6-20/h2-4,9-11H,5-8H2,1H3