(4-tert-butyl-2-chloranyl-phenyl) 3-nitrobenzoate

Systemtic Name: (4-tert-butyl-2-chloranyl-phenyl) 3-nitrobenzoate Openeye Name: (4-tert-butyl-2-chloro-phenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (4-tert-butyl-2-chlorophenyl) ester IUPAC Name: (4-tert-butyl-2-chlorophenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (4-tert-butyl-2-chloro-phenyl) ester Formula: C17H16ClNO4 MolecularWeight: 333.76624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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