2-[(2,4-dinitrophenyl)amino]pentanoic acid

Systemtic Name: 2-[(2,4-dinitrophenyl)amino]pentanoic acid Openeye Name: 2-(2,4-dinitroanilino)pentanoic acid CAS Name: 2-(2,4-dinitroanilino)pentanoic acid IUPAC Name: 2-(2,4-dinitroanilino)pentanoic acid Traditional Name: 2-(2,4-dinitroanilino)valeric acid Formula: C11H13N3O6 MolecularWeight: 283.23742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O6/c1-2-3-9(11(15)16)12-8-5-4-7(13(17)18)6-10(8)14(19)20/h4-6,9,12H,2-3H2,1H3,(H,15,16)