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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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