N-tert-butyl-2-but-1-ynyl-4-nitro-aniline

Systemtic Name: N-tert-butyl-2-but-1-ynyl-4-nitro-aniline Openeye Name: N-tert-butyl-2-but-1-ynyl-4-nitro-aniline CAS Name: N-tert-butyl-2-but-1-ynyl-4-nitroaniline IUPAC Name: N-tert-butyl-2-but-1-ynyl-4-nitroaniline Traditional Name: tert-butyl-(2-but-1-ynyl-4-nitro-phenyl)amine Formula: C14H18N2O2 MolecularWeight: 246.30492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O2/c1-5-6-7-11-10-12(16(17)18)8-9-13(11)15-14(2,3)4/h8-10,15H,5H2,1-4H3