2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]ethanoic acid

Systemtic Name: 2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]ethanoic acid Openeye Name: 2-(4-morpholinosulfonyl-2-nitro-anilino)acetic acid CAS Name: 2-[4-(4-morpholinylsulfonyl)-2-nitroanilino]acetic acid IUPAC Name: 2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)acetic acid Traditional Name: 2-(4-morpholinosulfonyl-2-nitro-anilino)acetic acid Formula: C12H15N3O7S MolecularWeight: 345.3284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O7S/c16-12(17)8-13-10-2-1-9(7-11(10)15(18)19)23(20,21)14-3-5-22-6-4-14/h1-2,7,13H,3-6,8H2,(H,16,17)