(2-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 3,5-dinitrobenzoate

Systemtic Name: (2-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 3,5-dinitrobenzoate Openeye Name: [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-ethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C20H19N3O8S MolecularWeight: 461.44516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O8S/c1-2-30-18-11-13(19(32)21-5-7-29-8-6-21)3-4-17(18)31-20(24)14-9-15(22(25)26)12-16(10-14)23(27)28/h3-4,9-12H,2,5-8H2,1H3