(3-methyl-4-propan-2-yl-phenyl) 2-chloranyl-4-nitro-benzoate

Systemtic Name: (3-methyl-4-propan-2-yl-phenyl) 2-chloranyl-4-nitro-benzoate Openeye Name: (4-isopropyl-3-methyl-phenyl) 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid (3-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-4-propan-2-ylphenyl) 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid (4-isopropyl-3-methyl-phenyl) ester Formula: C17H16ClNO4 MolecularWeight: 333.76624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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