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

Systemtic Name: 2-[3-(butan-2-ylamino)-6-methyl-2,4-dinitro-phenyl]ethanenitrile Openeye Name: 2-[6-methyl-2,4-dinitro-3-(sec-butylamino)phenyl]acetonitrile CAS Name: 2-[3-(butan-2-ylamino)-6-methyl-2,4-dinitrophenyl]acetonitrile IUPAC Name: 2-[3-(butan-2-ylamino)-6-methyl-2,4-dinitrophenyl]acetonitrile Traditional Name: 2-[6-methyl-2,4-dinitro-3-(sec-butylamino)phenyl]acetonitrile Formula: C13H16N4O4 MolecularWeight: 292.29054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O4/c1-4-9(3)15-12-11(16(18)19)7-8(2)10(5-6-14)13(12)17(20)21/h7,9,15H,4-5H2,1-3H3