2-[(2,4-dinitrophenyl)-methyl-amino]ethanoate

Systemtic Name: 2-[(2,4-dinitrophenyl)-methyl-amino]ethanoate Openeye Name: 2-(N-methyl-2,4-dinitro-anilino)acetate CAS Name: 2-(N-methyl-2,4-dinitroanilino)acetate IUPAC Name: 2-(N-methyl-2,4-dinitroanilino)acetate Traditional Name: 2-(N-methyl-2,4-dinitro-anilino)acetate Formula: C9H8N3O6- MolecularWeight: 254.17632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N3O6/c1-10(5-9(13)14)7-3-2-6(11(15)16)4-8(7)12(17)18/h2-4H,5H2,1H3,(H,13,14)/p-1