2-[(3,5-dinitrothiophen-2-yl)amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[(3,5-dinitrothiophen-2-yl)amino]-4-methyl-pentanoic acid Openeye Name: 2-[(3,5-dinitro-2-thienyl)amino]-4-methyl-pentanoic acid CAS Name: 2-[(3,5-dinitro-2-thiophenyl)amino]-4-methylpentanoic acid IUPAC Name: 2-[(3,5-dinitrothiophen-2-yl)amino]-4-methylpentanoic acid Traditional Name: 2-[(3,5-dinitro-2-thienyl)amino]-4-methyl-valeric acid Formula: C10H13N3O6S MolecularWeight: 303.29172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13N3O6S/c1-5(2)3-6(10(14)15)11-9-7(12(16)17)4-8(20-9)13(18)19/h4-6,11H,3H2,1-2H3,(H,14,15)