8-(4-methylsulfonyl-2-nitro-phenoxy)-5-nitro-quinoline

Systemtic Name: 8-(4-methylsulfonyl-2-nitro-phenoxy)-5-nitro-quinoline Openeye Name: 8-(4-methylsulfonyl-2-nitro-phenoxy)-5-nitro-quinoline CAS Name: 8-(4-methylsulfonyl-2-nitrophenoxy)-5-nitroquinoline IUPAC Name: 8-(4-methylsulfonyl-2-nitrophenoxy)-5-nitroquinoline Traditional Name: 8-(4-mesyl-2-nitro-phenoxy)-5-nitro-quinoline Formula: C16H11N3O7S MolecularWeight: 389.33944

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)OC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O7S/c1-27(24,25)10-4-6-14(13(9-10)19(22)23)26-15-7-5-12(18(20)21)11-3-2-8-17-16(11)15/h2-9H,1H3