N,N-diethyl-4-(4-methanoyl-2-methoxy-phenoxy)-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-(4-methanoyl-2-methoxy-phenoxy)-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-(4-formyl-2-methoxy-phenoxy)-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-(4-formyl-2-methoxyphenoxy)-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-(4-formyl-2-methoxyphenoxy)-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-(4-formyl-2-methoxy-phenoxy)-3-nitro-benzenesulfonamide Formula: C18H20N2O7S MolecularWeight: 408.4256

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)C=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)C=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O7S/c1-4-19(5-2)28(24,25)14-7-9-16(15(11-14)20(22)23)27-17-8-6-13(12-21)10-18(17)26-3/h6-12H,4-5H2,1-3H3