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

Systemtic Name: (2-morpholin-4-ylcarbothioylphenyl) 4-methyl-3,5-dinitro-benzoate Openeye Name: [2-(morpholine-4-carbothioyl)phenyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [2-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-(morpholine-4-carbothioyl)phenyl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [2-(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=C2C(=S)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC=CC=C2C(=S)N3CCOCC3)[N+](=O)[O-]

InChI

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