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

Systemtic Name: 2-[2,4-dinitro-3-(pentan-3-ylamino)-6-propyl-phenyl]ethanenitrile Openeye Name: 2-[3-(1-ethylpropylamino)-2,4-dinitro-6-propyl-phenyl]acetonitrile CAS Name: 2-[2,4-dinitro-3-(pentan-3-ylamino)-6-propylphenyl]acetonitrile IUPAC Name: 2-[2,4-dinitro-3-(pentan-3-ylamino)-6-propylphenyl]acetonitrile Traditional Name: 2-[3-(1-ethylpropylamino)-2,4-dinitro-6-propyl-phenyl]acetonitrile Formula: C16H22N4O4 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O4/c1-4-7-11-10-14(19(21)22)15(18-12(5-2)6-3)16(20(23)24)13(11)8-9-17/h10,12,18H,4-8H2,1-3H3