4-chloranyl-2-methyl-1-nitro-benzene; nitrobenzene

Systemtic Name: 4-chloranyl-2-methyl-1-nitro-benzene; nitrobenzene Openeye Name: 4-chloro-2-methyl-1-nitro-benzene; nitrobenzene CAS Name: 4-chloro-2-methyl-1-nitrobenzene; nitrobenzene IUPAC Name: 4-chloro-2-methyl-1-nitrobenzene; nitrobenzene Traditional Name: 4-chloro-2-methyl-1-nitro-benzene; nitrobenzene Formula: C13H11ClN2O4 MolecularWeight: 294.69044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6ClNO2.C6H5NO2/c1-5-4-6(8)2-3-7(5)9(10)11;8-7(9)6-4-2-1-3-5-6/h2-4H,1H3;1-5H