2-[(3,5-dinitrothiophen-2-yl)amino]-3-methyl-butanoic acid

Systemtic Name: 2-[(3,5-dinitrothiophen-2-yl)amino]-3-methyl-butanoic acid Openeye Name: 2-[(3,5-dinitro-2-thienyl)amino]-3-methyl-butanoic acid CAS Name: 2-[(3,5-dinitro-2-thiophenyl)amino]-3-methylbutanoic acid IUPAC Name: 2-[(3,5-dinitrothiophen-2-yl)amino]-3-methylbutanoic acid Traditional Name: 2-[(3,5-dinitro-2-thienyl)amino]-3-methyl-butyric acid Formula: C9H11N3O6S MolecularWeight: 289.26514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC1=C(C=C(S1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)O)NC1=C(C=C(S1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H11N3O6S/c1-4(2)7(9(13)14)10-8-5(11(15)16)3-6(19-8)12(17)18/h3-4,7,10H,1-2H3,(H,13,14)