[4-(4-nitrophenoxy)phenyl]methyl 3-methyl-2-oxidanyl-benzoate

Systemtic Name: [4-(4-nitrophenoxy)phenyl]methyl 3-methyl-2-oxidanyl-benzoate Openeye Name: [4-(4-nitrophenoxy)phenyl]methyl 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic acid [4-(4-nitrophenoxy)phenyl]methyl ester IUPAC Name: [4-(4-nitrophenoxy)phenyl]methyl 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid [4-(4-nitrophenoxy)benzyl] ester Formula: C21H17NO6 MolecularWeight: 379.36278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)OCC2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)OCC2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17NO6/c1-14-3-2-4-19(20(14)23)21(24)27-13-15-5-9-17(10-6-15)28-18-11-7-16(8-12-18)22(25)26/h2-12,23H,13H2,1H3