3,5-dimethyl-4-[2-[(4-methyl-3-nitro-phenyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carbonitrile

Systemtic Name: 3,5-dimethyl-4-[2-[(4-methyl-3-nitro-phenyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carbonitrile Openeye Name: 3,5-dimethyl-4-[2-(4-methyl-3-nitro-anilino)pyrimidin-4-yl]-1H-pyrrole-2-carbonitrile CAS Name: 3,5-dimethyl-4-[2-(4-methyl-3-nitroanilino)-4-pyrimidinyl]-1H-pyrrole-2-carbonitrile IUPAC Name: 3,5-dimethyl-4-[2-(4-methyl-3-nitroanilino)pyrimidin-4-yl]-1H-pyrrole-2-carbonitrile Traditional Name: 3,5-dimethyl-4-[2-(4-methyl-3-nitro-anilino)pyrimidin-4-yl]-1H-pyrrole-2-carbonitrile Formula: C18H16N6O2 MolecularWeight: 348.35864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=CC(=N2)C3=C(NC(=C3C)C#N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=CC(=N2)C3=C(NC(=C3C)C#N)C)[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O2/c1-10-4-5-13(8-16(10)24(25)26)22-18-20-7-6-14(23-18)17-11(2)15(9-19)21-12(17)3/h4-8,21H,1-3H3,(H,20,22,23)