nitrobenzene; nitromethylbenzene

Systemtic Name: nitrobenzene; nitromethylbenzene Openeye Name: nitrobenzene; nitromethylbenzene CAS Name: nitrobenzene; nitromethylbenzene IUPAC Name: nitrobenzene; nitromethylbenzene Traditional Name: nitrobenzene; nitromethylbenzene Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7NO2.C6H5NO2/c9-8(10)6-7-4-2-1-3-5-7;8-7(9)6-4-2-1-3-5-6/h1-5H,6H2;1-5H