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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O4/c1-5-11(6-2)18-15-14(19(21)22)9-13(10(3)4)12(7-8-17)16(15)20(23)24/h9-11,18H,5-7H2,1-4H3