2-(4-methyl-3,5-dinitro-phenoxy)ethanoic acid

Systemtic Name: 2-(4-methyl-3,5-dinitro-phenoxy)ethanoic acid Openeye Name: 2-(4-methyl-3,5-dinitro-phenoxy)acetic acid CAS Name: 2-(4-methyl-3,5-dinitrophenoxy)acetic acid IUPAC Name: 2-(4-methyl-3,5-dinitrophenoxy)acetic acid Traditional Name: 2-(4-methyl-3,5-dinitro-phenoxy)acetic acid Formula: C9H8N2O7 MolecularWeight: 256.16902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N2O7/c1-5-7(10(14)15)2-6(18-4-9(12)13)3-8(5)11(16)17/h2-3H,4H2,1H3,(H,12,13)