(4-butylphenyl) 2-nitrobenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

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