2-[(3-methyl-2,4-dinitro-phenyl)amino]ethanoic acid

Systemtic Name: 2-[(3-methyl-2,4-dinitro-phenyl)amino]ethanoic acid Openeye Name: 2-(3-methyl-2,4-dinitro-anilino)acetic acid CAS Name: 2-(3-methyl-2,4-dinitroanilino)acetic acid IUPAC Name: 2-(3-methyl-2,4-dinitroanilino)acetic acid Traditional Name: 2-(3-methyl-2,4-dinitro-anilino)acetic acid Formula: C9H9N3O6 MolecularWeight: 255.18426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1[N+](=O)[O-])NCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1[N+](=O)[O-])NCC(=O)O)[N+](=O)[O-]

InChI

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