4-methyl-2-[(5-nitro-2-oxidanyl-phenyl)methyl]phenol

Systemtic Name: 4-methyl-2-[(5-nitro-2-oxidanyl-phenyl)methyl]phenol Openeye Name: 2-[(2-hydroxy-5-nitro-phenyl)methyl]-4-methyl-phenol CAS Name: 2-[(2-hydroxy-5-nitrophenyl)methyl]-4-methylphenol IUPAC Name: 2-[(2-hydroxy-5-nitrophenyl)methyl]-4-methylphenol Traditional Name: 2-(2-hydroxy-5-nitro-benzyl)-4-methyl-phenol Formula: C14H13NO4 MolecularWeight: 259.25732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)CC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=C(C=C1)O)CC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H13NO4/c1-9-2-4-13(16)10(6-9)7-11-8-12(15(18)19)3-5-14(11)17/h2-6,8,16-17H,7H2,1H3