2-[6-ethyl-2,4-dinitro-3-(pentan-3-ylamino)phenyl]ethanenitrile

Systemtic Name: 2-[6-ethyl-2,4-dinitro-3-(pentan-3-ylamino)phenyl]ethanenitrile Openeye Name: 2-[6-ethyl-3-(1-ethylpropylamino)-2,4-dinitro-phenyl]acetonitrile CAS Name: 2-[6-ethyl-2,4-dinitro-3-(pentan-3-ylamino)phenyl]acetonitrile IUPAC Name: 2-[6-ethyl-2,4-dinitro-3-(pentan-3-ylamino)phenyl]acetonitrile Traditional Name: 2-[6-ethyl-3-(1-ethylpropylamino)-2,4-dinitro-phenyl]acetonitrile Formula: C15H20N4O4 MolecularWeight: 320.3437

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1CC#N)[N+](=O)[O-])NC(CC)CC)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=C(C(=C1CC#N)[N+](=O)[O-])NC(CC)CC)[N+](=O)[O-]

InChI

InChI=1S/C15H20N4O4/c1-4-10-9-13(18(20)21)14(17-11(5-2)6-3)15(19(22)23)12(10)7-8-16/h9,11,17H,4-7H2,1-3H3