2-[[3-nitro-4-(propan-2-ylamino)phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[3-nitro-4-(propan-2-ylamino)phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-(isopropylamino)-3-nitro-phenyl]sulfonylamino]acetic acid CAS Name: 2-[[3-nitro-4-(propan-2-ylamino)phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[3-nitro-4-(propan-2-ylamino)phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-(isopropylamino)-3-nitro-phenyl]sulfonylamino]acetic acid Formula: C11H15N3O6S MolecularWeight: 317.3183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H15N3O6S/c1-7(2)13-9-4-3-8(5-10(9)14(17)18)21(19,20)12-6-11(15)16/h3-5,7,12-13H,6H2,1-2H3,(H,15,16)