nitrobenzene; 2-nitropropane

Systemtic Name: nitrobenzene; 2-nitropropane Openeye Name: nitrobenzene; 2-nitropropane CAS Name: nitrobenzene; 2-nitropropane IUPAC Name: nitrobenzene; 2-nitropropane Traditional Name: nitrobenzene; 2-nitropropane Formula: C9H12N2O4 MolecularWeight: 212.20258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5NO2.C3H7NO2/c8-7(9)6-4-2-1-3-5-6;1-3(2)4(5)6/h1-5H;3H,1-2H3