2-(3-methyl-4-nitro-phenyl)ethanoic acid

Systemtic Name: 2-(3-methyl-4-nitro-phenyl)ethanoic acid Openeye Name: 2-(3-methyl-4-nitro-phenyl)acetic acid CAS Name: 2-(3-methyl-4-nitrophenyl)acetic acid IUPAC Name: 2-(3-methyl-4-nitrophenyl)acetic acid Traditional Name: 2-(3-methyl-4-nitro-phenyl)acetic acid Formula: C9H9NO4 MolecularWeight: 195.17206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO4/c1-6-4-7(5-9(11)12)2-3-8(6)10(13)14/h2-4H,5H2,1H3,(H,11,12)