methylbenzene; 1-nitro-2-(2-nitrophenyl)benzene

Systemtic Name: methylbenzene; 1-nitro-2-(2-nitrophenyl)benzene Openeye Name: 1-nitro-2-(2-nitrophenyl)benzene; toluene CAS Name: 1-nitro-2-(2-nitrophenyl)benzene; toluene IUPAC Name: 1-nitro-2-(2-nitrophenyl)benzene; toluene Traditional Name: 1-nitro-2-(2-nitrophenyl)benzene; toluene Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C1=CC=C(C(=C1)C2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1.C1=CC=C(C(=C1)C2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H8N2O4.C7H8/c15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18;1-7-5-3-2-4-6-7/h1-8H;2-6H,1H3