2-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]butanoic acid

Systemtic Name: 2-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]butanoic acid Openeye Name: 2-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]butanoic acid CAS Name: 2-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]butanoic acid IUPAC Name: 2-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]butanoic acid Traditional Name: 2-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]butyric acid Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC1=C(C=C2C(=C1)N=C(S2)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)O)NC1=C(C=C2C(=C1)N=C(S2)C)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O4S/c1-3-7(12(16)17)14-8-4-9-11(20-6(2)13-9)5-10(8)15(18)19/h4-5,7,14H,3H2,1-2H3,(H,16,17)