4-chloranyl-2-methyl-5-nitro-benzoic acid

Systemtic Name: 4-chloranyl-2-methyl-5-nitro-benzoic acid Openeye Name: 4-chloro-2-methyl-5-nitro-benzoic acid CAS Name: 4-chloro-2-methyl-5-nitrobenzoic acid IUPAC Name: 4-chloro-2-methyl-5-nitrobenzoic acid Traditional Name: 4-chloro-2-methyl-5-nitro-benzoic acid Formula: C8H6ClNO4 MolecularWeight: 215.59054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C8H6ClNO4/c1-4-2-6(9)7(10(13)14)3-5(4)8(11)12/h2-3H,1H3,(H,11,12)