(2S)-2-[(2,3-dinitrophenyl)amino]-3-methyl-pentanoic acid

Systemtic Name: (2S)-2-[(2,3-dinitrophenyl)amino]-3-methyl-pentanoic acid Openeye Name: (2S)-2-(2,3-dinitroanilino)-3-methyl-pentanoic acid CAS Name: (2S)-2-(2,3-dinitroanilino)-3-methylpentanoic acid IUPAC Name: (2S)-2-(2,3-dinitroanilino)-3-methylpentanoic acid Traditional Name: (2S)-2-(2,3-dinitroanilino)-3-methyl-valeric acid Formula: C12H15N3O6 MolecularWeight: 297.264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)[C@@H](C(=O)O)NC1=C(C(=CC=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O6/c1-3-7(2)10(12(16)17)13-8-5-4-6-9(14(18)19)11(8)15(20)21/h4-7,10,13H,3H2,1-2H3,(H,16,17)/t7?,10-/m0/s1