1-(3-nitrophenyl)ethanone; (E)-N,6,6-trimethylhept-2-en-4-yn-1-amine

Systemtic Name: 1-(3-nitrophenyl)ethanone; (E)-N,6,6-trimethylhept-2-en-4-yn-1-amine Openeye Name: 1-(3-nitrophenyl)ethanone; (E)-N,6,6-trimethylhept-2-en-4-yn-1-amine CAS Name: 1-(3-nitrophenyl)ethanone; (E)-N,6,6-trimethyl-1-hept-2-en-4-ynamine IUPAC Name: 1-(3-nitrophenyl)ethanone; (E)-N,6,6-trimethylhept-2-en-4-yn-1-amine Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amine; 1-(3-nitrophenyl)ethanone Formula: C18H24N2O3 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H17N.C8H7NO3/c1-10(2,3)8-6-5-7-9-11-4;1-6(10)7-3-2-4-8(5-7)9(11)12/h5,7,11H,9H2,1-4H3;2-5H,1H3/b7-5+;