(2-butan-2-ylphenyl) 4-chloranyl-3-nitro-benzoate

Systemtic Name: (2-butan-2-ylphenyl) 4-chloranyl-3-nitro-benzoate Openeye Name: (2-sec-butylphenyl) 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (2-butan-2-ylphenyl) ester IUPAC Name: (2-butan-2-ylphenyl) 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (2-sec-butylphenyl) ester Formula: C17H16ClNO4 MolecularWeight: 333.76624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=CC=C1OC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClNO4/c1-3-11(2)13-6-4-5-7-16(13)23-17(20)12-8-9-14(18)15(10-12)19(21)22/h4-11H,3H2,1-2H3