2-[[6-[(5-chloranyl-2-methyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]ethanenitrile

Systemtic Name: 2-[[6-[(5-chloranyl-2-methyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[[6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile CAS Name: 2-[[6-(5-chloro-2-methylanilino)-5-nitro-4-pyrimidinyl]-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[[6-(5-chloro-2-methylanilino)-5-nitropyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Formula: C15H12ClN7O2 MolecularWeight: 357.75448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C15H12ClN7O2/c1-10-2-3-11(16)8-12(10)21-14-13(23(24)25)15(20-9-19-14)22(6-4-17)7-5-18/h2-3,8-9H,6-7H2,1H3,(H,19,20,21)