3-methoxy-4-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)benzaldehyde

Systemtic Name: 3-methoxy-4-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)benzaldehyde Openeye Name: 3-methoxy-4-(4-morpholinosulfonyl-2-nitro-phenoxy)benzaldehyde CAS Name: 3-methoxy-4-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]benzaldehyde IUPAC Name: 3-methoxy-4-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)benzaldehyde Traditional Name: 3-methoxy-4-(4-morpholinosulfonyl-2-nitro-phenoxy)benzaldehyde Formula: C18H18N2O8S MolecularWeight: 422.40912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O8S/c1-26-18-10-13(12-21)2-4-17(18)28-16-5-3-14(11-15(16)20(22)23)29(24,25)19-6-8-27-9-7-19/h2-5,10-12H,6-9H2,1H3