(2-chloranyl-4-nitro-phenyl)methyl 3-methyl-2-oxidanyl-benzoate

Systemtic Name: (2-chloranyl-4-nitro-phenyl)methyl 3-methyl-2-oxidanyl-benzoate Openeye Name: (2-chloro-4-nitro-phenyl)methyl 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic acid (2-chloro-4-nitrophenyl)methyl ester IUPAC Name: (2-chloro-4-nitrophenyl)methyl 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid (2-chloro-4-nitro-benzyl) ester Formula: C15H12ClNO5 MolecularWeight: 321.71248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClNO5/c1-9-3-2-4-12(14(9)18)15(19)22-8-10-5-6-11(17(20)21)7-13(10)16/h2-7,18H,8H2,1H3