3-hept-1-ynyl-1-methoxy-2-methyl-4-nitro-benzene

Systemtic Name: 3-hept-1-ynyl-1-methoxy-2-methyl-4-nitro-benzene Openeye Name: 3-hept-1-ynyl-1-methoxy-2-methyl-4-nitro-benzene CAS Name: 3-hept-1-ynyl-1-methoxy-2-methyl-4-nitrobenzene IUPAC Name: 3-hept-1-ynyl-1-methoxy-2-methyl-4-nitrobenzene Traditional Name: 3-hept-1-ynyl-1-methoxy-2-methyl-4-nitro-benzene Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC1=C(C=CC(=C1C)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCCC#CC1=C(C=CC(=C1C)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H19NO3/c1-4-5-6-7-8-9-13-12(2)15(19-3)11-10-14(13)16(17)18/h10-11H,4-7H2,1-3H3