methylbenzene; nitromethane

Systemtic Name: methylbenzene; nitromethane Openeye Name: nitromethane; toluene CAS Name: nitromethane; toluene IUPAC Name: nitromethane; toluene Traditional Name: nitromethane; toluene Formula: C8H11NO2 MolecularWeight: 153.17844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8.CH3NO2/c1-7-5-3-2-4-6-7;1-2(3)4/h2-6H,1H3;1H3