2-[3-(1-methoxypropan-2-ylamino)-6-methyl-2,4-dinitro-phenyl]ethanenitrile

Systemtic Name: 2-[3-(1-methoxypropan-2-ylamino)-6-methyl-2,4-dinitro-phenyl]ethanenitrile Openeye Name: 2-[3-[(2-methoxy-1-methyl-ethyl)amino]-6-methyl-2,4-dinitro-phenyl]acetonitrile CAS Name: 2-[3-(1-methoxypropan-2-ylamino)-6-methyl-2,4-dinitrophenyl]acetonitrile IUPAC Name: 2-[3-(1-methoxypropan-2-ylamino)-6-methyl-2,4-dinitrophenyl]acetonitrile Traditional Name: 2-[3-[(2-methoxy-1-methyl-ethyl)amino]-6-methyl-2,4-dinitro-phenyl]acetonitrile Formula: C13H16N4O5 MolecularWeight: 308.28994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1CC#N)[N+](=O)[O-])NC(C)COC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1CC#N)[N+](=O)[O-])NC(C)COC)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O5/c1-8-6-11(16(18)19)12(15-9(2)7-22-3)13(17(20)21)10(8)4-5-14/h6,9,15H,4,7H2,1-3H3