2-methyl-5-nitro-phenol; 2-methyl-6-nitro-phenol; 3-methylphenol

Systemtic Name: 2-methyl-5-nitro-phenol; 2-methyl-6-nitro-phenol; 3-methylphenol Openeye Name: m-cresol; 2-methyl-5-nitro-phenol; 2-methyl-6-nitro-phenol CAS Name: 2-methyl-5-nitrophenol; 2-methyl-6-nitrophenol; 3-methylphenol IUPAC Name: 2-methyl-5-nitrophenol; 2-methyl-6-nitrophenol; 3-methylphenol Traditional Name: m-cresol; 2-methyl-5-nitro-phenol; 2-methyl-6-nitro-phenol Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H7NO3.C7H8O/c1-5-2-3-6(8(10)11)4-7(5)9;1-5-3-2-4-6(7(5)9)8(10)11;1-6-3-2-4-7(8)5-6/h2*2-4,9H,1H3;2-5,8H,1H3