2-but-1-ynyl-4-nitro-N-pentan-3-yl-aniline

Systemtic Name: 2-but-1-ynyl-4-nitro-N-pentan-3-yl-aniline Openeye Name: 2-but-1-ynyl-N-(1-ethylpropyl)-4-nitro-aniline CAS Name: 2-but-1-ynyl-4-nitro-N-pentan-3-ylaniline IUPAC Name: 2-but-1-ynyl-4-nitro-N-pentan-3-ylaniline Traditional Name: (2-but-1-ynyl-4-nitro-phenyl)-(1-ethylpropyl)amine Formula: C15H20N2O2 MolecularWeight: 260.3315

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC1=C(C=CC(=C1)[N+](=O)[O-])NC(CC)CC

Isomeric SMILES

CCC#CC1=C(C=CC(=C1)[N+](=O)[O-])NC(CC)CC

InChI

InChI=1S/C15H20N2O2/c1-4-7-8-12-11-14(17(18)19)9-10-15(12)16-13(5-2)6-3/h9-11,13,16H,4-6H2,1-3H3