2-[2,4-dinitro-3-(propan-2-ylamino)-6-propyl-phenyl]ethanenitrile

Systemtic Name: 2-[2,4-dinitro-3-(propan-2-ylamino)-6-propyl-phenyl]ethanenitrile Openeye Name: 2-[3-(isopropylamino)-2,4-dinitro-6-propyl-phenyl]acetonitrile CAS Name: 2-[2,4-dinitro-3-(propan-2-ylamino)-6-propylphenyl]acetonitrile IUPAC Name: 2-[2,4-dinitro-3-(propan-2-ylamino)-6-propylphenyl]acetonitrile Traditional Name: 2-[3-(isopropylamino)-2,4-dinitro-6-propyl-phenyl]acetonitrile Formula: C14H18N4O4 MolecularWeight: 306.31712

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C(=C1CC#N)[N+](=O)[O-])NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(=C(C(=C1CC#N)[N+](=O)[O-])NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O4/c1-4-5-10-8-12(17(19)20)13(16-9(2)3)14(18(21)22)11(10)6-7-15/h8-9,16H,4-6H2,1-3H3