methylbenzene; 1-methyl-2,3-dinitro-benzene

Systemtic Name: methylbenzene; 1-methyl-2,3-dinitro-benzene Openeye Name: 1-methyl-2,3-dinitro-benzene; toluene CAS Name: 1-methyl-2,3-dinitrobenzene; toluene IUPAC Name: 1-methyl-2,3-dinitrobenzene; toluene Traditional Name: 1-methyl-2,3-dinitro-benzene; toluene Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6N2O4.C7H8/c1-5-3-2-4-6(8(10)11)7(5)9(12)13;1-7-5-3-2-4-6-7/h2-4H,1H3;2-6H,1H3