(2-methoxy-5-morpholin-4-ylcarbothioyl-phenyl) 2,4-dinitrobenzoate

Systemtic Name: (2-methoxy-5-morpholin-4-ylcarbothioyl-phenyl) 2,4-dinitrobenzoate Openeye Name: [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [2-methoxy-5-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] ester Formula: C19H17N3O8S MolecularWeight: 447.41858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=S)N2CCOCC2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=S)N2CCOCC2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O8S/c1-28-16-5-2-12(18(31)20-6-8-29-9-7-20)10-17(16)30-19(23)14-4-3-13(21(24)25)11-15(14)22(26)27/h2-5,10-11H,6-9H2,1H3