(4-butan-2-ylphenyl) 2-nitrobenzoate

Systemtic Name: (4-butan-2-ylphenyl) 2-nitrobenzoate Openeye Name: (4-sec-butylphenyl) 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid (4-butan-2-ylphenyl) ester IUPAC Name: (4-butan-2-ylphenyl) 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (4-sec-butylphenyl) ester Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO4/c1-3-12(2)13-8-10-14(11-9-13)22-17(19)15-6-4-5-7-16(15)18(20)21/h4-12H,3H2,1-2H3