4-ethynyl-1-methyl-2-nitro-benzene

Systemtic Name: 4-ethynyl-1-methyl-2-nitro-benzene Openeye Name: 4-ethynyl-1-methyl-2-nitro-benzene CAS Name: 4-ethynyl-1-methyl-2-nitrobenzene IUPAC Name: 4-ethynyl-1-methyl-2-nitrobenzene Traditional Name: 4-ethynyl-1-methyl-2-nitro-benzene Formula: C9H7NO2 MolecularWeight: 161.15738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C#C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C#C)[N+](=O)[O-]

InChI

InChI=1S/C9H7NO2/c1-3-8-5-4-7(2)9(6-8)10(11)12/h1,4-6H,2H3