methylbenzene; 1-nitro-3-(3-nitrophenyl)benzene

Systemtic Name: methylbenzene; 1-nitro-3-(3-nitrophenyl)benzene Openeye Name: 1-nitro-3-(3-nitrophenyl)benzene; toluene CAS Name: 1-nitro-3-(3-nitrophenyl)benzene; toluene IUPAC Name: 1-nitro-3-(3-nitrophenyl)benzene; toluene Traditional Name: 1-nitro-3-(3-nitrophenyl)benzene; toluene Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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