2-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)ethanoic acid

Systemtic Name: 2-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)ethanoic acid Openeye Name: 2-(2-morpholinosulfonyl-4-nitro-phenyl)acetic acid CAS Name: 2-[2-(4-morpholinylsulfonyl)-4-nitrophenyl]acetic acid IUPAC Name: 2-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)acetic acid Traditional Name: 2-(2-morpholinosulfonyl-4-nitro-phenyl)acetic acid Formula: C12H14N2O7S MolecularWeight: 330.31376

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C12H14N2O7S/c15-12(16)7-9-1-2-10(14(17)18)8-11(9)22(19,20)13-3-5-21-6-4-13/h1-2,8H,3-7H2,(H,15,16)