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

Systemtic Name: 2-[6-methyl-2,4-dinitro-3-(pentan-3-ylamino)phenyl]ethanenitrile Openeye Name: 2-[3-(1-ethylpropylamino)-6-methyl-2,4-dinitro-phenyl]acetonitrile CAS Name: 2-[6-methyl-2,4-dinitro-3-(pentan-3-ylamino)phenyl]acetonitrile IUPAC Name: 2-[6-methyl-2,4-dinitro-3-(pentan-3-ylamino)phenyl]acetonitrile Traditional Name: 2-[3-(1-ethylpropylamino)-6-methyl-2,4-dinitro-phenyl]acetonitrile Formula: C14H18N4O4 MolecularWeight: 306.31712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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