(4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 4-nitrobenzoate

Systemtic Name: (4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 4-nitrobenzoate Openeye Name: (4-chloro-2-isopropyl-5-methyl-phenyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (4-chloro-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-5-methyl-2-propan-2-ylphenyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (4-chloro-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=C1Cl)C(C)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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