(3-methyl-4-nitro-phenyl) 4-morpholin-4-ylsulfonylbenzoate

Systemtic Name: (3-methyl-4-nitro-phenyl) 4-morpholin-4-ylsulfonylbenzoate Openeye Name: (3-methyl-4-nitro-phenyl) 4-morpholinosulfonylbenzoate CAS Name: 4-(4-morpholinylsulfonyl)benzoic acid (3-methyl-4-nitrophenyl) ester IUPAC Name: (3-methyl-4-nitrophenyl) 4-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-morpholinosulfonylbenzoic acid (3-methyl-4-nitro-phenyl) ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O7S/c1-13-12-15(4-7-17(13)20(22)23)27-18(21)14-2-5-16(6-3-14)28(24,25)19-8-10-26-11-9-19/h2-7,12H,8-11H2,1H3