2-[2-[4-[[(4-methyl-3-nitro-pyridin-2-yl)amino]methyl]phenyl]pyrrol-1-yl]ethanenitrile

Systemtic Name: 2-[2-[4-[[(4-methyl-3-nitro-pyridin-2-yl)amino]methyl]phenyl]pyrrol-1-yl]ethanenitrile Openeye Name: 2-[2-[4-[[(4-methyl-3-nitro-2-pyridyl)amino]methyl]phenyl]pyrrol-1-yl]acetonitrile CAS Name: 2-[2-[4-[[(4-methyl-3-nitro-2-pyridinyl)amino]methyl]phenyl]-1-pyrrolyl]acetonitrile IUPAC Name: 2-[2-[4-[[(4-methyl-3-nitropyridin-2-yl)amino]methyl]phenyl]pyrrol-1-yl]acetonitrile Traditional Name: 2-[2-[4-[[(4-methyl-3-nitro-2-pyridyl)amino]methyl]phenyl]pyrrol-1-yl]acetonitrile Formula: C19H17N5O2 MolecularWeight: 347.37058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1)NCC2=CC=C(C=C2)C3=CC=CN3CC#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC=C1)NCC2=CC=C(C=C2)C3=CC=CN3CC#N)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O2/c1-14-8-10-21-19(18(14)24(25)26)22-13-15-4-6-16(7-5-15)17-3-2-11-23(17)12-9-20/h2-8,10-11H,12-13H2,1H3,(H,21,22)