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

Systemtic Name: 4-nitro-N-pentan-3-yl-2-prop-1-ynyl-aniline Openeye Name: N-(1-ethylpropyl)-4-nitro-2-prop-1-ynyl-aniline CAS Name: 4-nitro-N-pentan-3-yl-2-prop-1-ynylaniline IUPAC Name: 4-nitro-N-pentan-3-yl-2-prop-1-ynylaniline Traditional Name: 1-ethylpropyl-(4-nitro-2-prop-1-ynyl-phenyl)amine Formula: C14H18N2O2 MolecularWeight: 246.30492

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(C=C(C=C1)[N+](=O)[O-])C#CC

Isomeric SMILES

CCC(CC)NC1=C(C=C(C=C1)[N+](=O)[O-])C#CC

InChI

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