methylbenzene; nitrobenzene

Systemtic Name: methylbenzene; nitrobenzene Openeye Name: nitrobenzene; toluene CAS Name: nitrobenzene; toluene IUPAC Name: nitrobenzene; toluene Traditional Name: nitrobenzene; toluene Formula: C13H13NO2 MolecularWeight: 215.24782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1.C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C7H8.C6H5NO2/c1-7-5-3-2-4-6-7;8-7(9)6-4-2-1-3-5-6/h2-6H,1H3;1-5H