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4-[(4,5-dimethyl-2-nitro-phenoxy)methyl]-3-methyl-benzoic acid

4-[(4,5-dimethyl-2-nitro-phenoxy)methyl]-3-methyl-benzoic acid

Systemtic Name:4-[(4,5-dimethyl-2-nitro-phenoxy)methyl]-3-methyl-benzoic acid
Openeye Name:4-[(4,5-dimethyl-2-nitro-phenoxy)methyl]-3-methyl-benzoic acid
CAS Name:4-[(4,5-dimethyl-2-nitrophenoxy)methyl]-3-methylbenzoic acid
IUPAC Name:4-[(4,5-dimethyl-2-nitrophenoxy)methyl]-3-methylbenzoic acid
Traditional Name:4-[(4,5-dimethyl-2-nitro-phenoxy)methyl]-3-methyl-benzoic acid
Formula: C17H17NO5
MolecularWeight: 315.32058
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)OCC2=C(C=C(C=C2)C(=O)O)C)[N+](=O)[O-]


Isomeric SMILES

CC1=CC(=C(C=C1C)OCC2=C(C=C(C=C2)C(=O)O)C)[N+](=O)[O-]


InChI

InChI=1S/C17H17NO5/c1-10-7-15(18(21)22)16(8-11(10)2)23-9-14-5-4-13(17(19)20)6-12(14)3/h4-8H,9H2,1-3H3,(H,19,20)


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