N-methylmethanamine; 1-nitro-4-(4-phenylbuta-1,3-diynyl)benzene

Systemtic Name: N-methylmethanamine; 1-nitro-4-(4-phenylbuta-1,3-diynyl)benzene Openeye Name: N-methylmethanamine; 1-nitro-4-(4-phenylbuta-1,3-diynyl)benzene CAS Name: N-methylmethanamine; 1-nitro-4-(4-phenylbuta-1,3-diynyl)benzene IUPAC Name: N-methylmethanamine; 1-nitro-4-(4-phenylbuta-1,3-diynyl)benzene Traditional Name: dimethylamine; 1-nitro-4-(4-phenylbuta-1,3-diynyl)benzene Formula: C18H16N2O2 MolecularWeight: 292.33184

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Descriptors Computed from Structure

Canonical SMILES:

CNC.C1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CNC.C1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H9NO2.C2H7N/c18-17(19)16-12-10-15(11-13-16)9-5-4-8-14-6-2-1-3-7-14;1-3-2/h1-3,6-7,10-13H;3H,1-2H3