2-methyl-2-[(4-nitro-1,3-benzothiazol-5-yl)amino]pentanoic acid

Systemtic Name: 2-methyl-2-[(4-nitro-1,3-benzothiazol-5-yl)amino]pentanoic acid Openeye Name: 2-methyl-2-[(4-nitro-1,3-benzothiazol-5-yl)amino]pentanoic acid CAS Name: 2-methyl-2-[(4-nitro-1,3-benzothiazol-5-yl)amino]pentanoic acid IUPAC Name: 2-methyl-2-[(4-nitro-1,3-benzothiazol-5-yl)amino]pentanoic acid Traditional Name: 2-methyl-2-[(4-nitro-1,3-benzothiazol-5-yl)amino]valeric acid Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NC1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

Isomeric SMILES

CCCC(C)(C(=O)O)NC1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O4S/c1-3-6-13(2,12(17)18)15-8-4-5-9-10(14-7-21-9)11(8)16(19)20/h4-5,7,15H,3,6H2,1-2H3,(H,17,18)