(3-morpholin-4-ylcarbothioylphenyl) 2,4-dinitrobenzoate

Systemtic Name: (3-morpholin-4-ylcarbothioylphenyl) 2,4-dinitrobenzoate Openeye Name: [3-(morpholine-4-carbothioyl)phenyl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [3-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [3-(morpholine-4-carbothioyl)phenyl] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [3-(morpholine-4-carbothioyl)phenyl] ester Formula: C18H15N3O7S MolecularWeight: 417.3926

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=S)C2=CC(=CC=C2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=S)C2=CC(=CC=C2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O7S/c22-18(15-5-4-13(20(23)24)11-16(15)21(25)26)28-14-3-1-2-12(10-14)17(29)19-6-8-27-9-7-19/h1-5,10-11H,6-9H2