4-tert-butylbenzoate; nitrobenzene

Systemtic Name: 4-tert-butylbenzoate; nitrobenzene Openeye Name: 4-tert-butylbenzoate; nitrobenzene CAS Name: 4-tert-butylbenzoate; nitrobenzene IUPAC Name: 4-tert-butylbenzoate; nitrobenzene Traditional Name: 4-tert-butylbenzoate; nitrobenzene Formula: C17H18NO4- MolecularWeight: 300.32912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H14O2.C6H5NO2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;8-7(9)6-4-2-1-3-5-6/h4-7H,1-3H3,(H,12,13);1-5H/p-1