methyl 3-[(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)methyl]benzoate

Systemtic Name: methyl 3-[(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)methyl]benzoate Openeye Name: methyl 3-[(4-morpholinosulfonyl-2-nitro-phenoxy)methyl]benzoate CAS Name: 3-[[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)methyl]benzoate Traditional Name: 3-[(4-morpholinosulfonyl-2-nitro-phenoxy)methyl]benzoic acid methyl ester Formula: C19H20N2O8S MolecularWeight: 436.4357

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O8S/c1-27-19(22)15-4-2-3-14(11-15)13-29-18-6-5-16(12-17(18)21(23)24)30(25,26)20-7-9-28-10-8-20/h2-6,11-12H,7-10,13H2,1H3