(5-methyl-2-propan-2-yl-phenyl) 2-chloranyl-5-nitro-benzoate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 2-chloranyl-5-nitro-benzoate Openeye Name: (2-isopropyl-5-methyl-phenyl) 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C17H16ClNO4 MolecularWeight: 333.76624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO4/c1-10(2)13-6-4-11(3)8-16(13)23-17(20)14-9-12(19(21)22)5-7-15(14)18/h4-10H,1-3H3