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

Systemtic Name: (2-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) 3,5-dinitrobenzoate Openeye Name: [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-methoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C19H17N3O8S MolecularWeight: 447.41858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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