2-(2-cyclopentylethynyl)-4-methyl-6-nitro-aniline

Systemtic Name: 2-(2-cyclopentylethynyl)-4-methyl-6-nitro-aniline Openeye Name: 2-(2-cyclopentylethynyl)-4-methyl-6-nitro-aniline CAS Name: 2-(2-cyclopentylethynyl)-4-methyl-6-nitroaniline IUPAC Name: 2-(2-cyclopentylethynyl)-4-methyl-6-nitroaniline Traditional Name: [2-(2-cyclopentylethynyl)-4-methyl-6-nitro-phenyl]amine Formula: C14H11N2O2 MolecularWeight: 239.24934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C#C[C]2[CH][CH][CH][CH]2)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C#C[C]2[CH][CH][CH][CH]2)N)[N+](=O)[O-]

InChI

InChI=1S/C14H11N2O2/c1-10-8-12(7-6-11-4-2-3-5-11)14(15)13(9-10)16(17)18/h2-5,8-9H,15H2,1H3