3-ethynyl-N-[1-(4-methyl-3-nitro-phenyl)ethyl]aniline

Systemtic Name: 3-ethynyl-N-[1-(4-methyl-3-nitro-phenyl)ethyl]aniline Openeye Name: 3-ethynyl-N-[1-(4-methyl-3-nitro-phenyl)ethyl]aniline CAS Name: 3-ethynyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]aniline IUPAC Name: 3-ethynyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]aniline Traditional Name: (3-ethynylphenyl)-[1-(4-methyl-3-nitro-phenyl)ethyl]amine Formula: C17H16N2O2 MolecularWeight: 280.32114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC2=CC=CC(=C2)C#C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)NC2=CC=CC(=C2)C#C)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O2/c1-4-14-6-5-7-16(10-14)18-13(3)15-9-8-12(2)17(11-15)19(20)21/h1,5-11,13,18H,2-3H3