4-[(2,4-dinitrophenyl)amino]butanoate

Systemtic Name: 4-[(2,4-dinitrophenyl)amino]butanoate Openeye Name: 4-(2,4-dinitroanilino)butanoate CAS Name: 4-(2,4-dinitroanilino)butanoate IUPAC Name: 4-(2,4-dinitroanilino)butanoate Traditional Name: 4-(2,4-dinitroanilino)butyrate Formula: C10H10N3O6- MolecularWeight: 268.2029

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N3O6/c14-10(15)2-1-5-11-8-4-3-7(12(16)17)6-9(8)13(18)19/h3-4,6,11H,1-2,5H2,(H,14,15)/p-1