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

Systemtic Name: 3,5-dimethyl-4-[2-[(3-nitrophenyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carbonitrile Openeye Name: 3,5-dimethyl-4-[2-(3-nitroanilino)pyrimidin-4-yl]-1H-pyrrole-2-carbonitrile CAS Name: 3,5-dimethyl-4-[2-(3-nitroanilino)-4-pyrimidinyl]-1H-pyrrole-2-carbonitrile IUPAC Name: 3,5-dimethyl-4-[2-(3-nitroanilino)pyrimidin-4-yl]-1H-pyrrole-2-carbonitrile Traditional Name: 3,5-dimethyl-4-[2-(3-nitroanilino)pyrimidin-4-yl]-1H-pyrrole-2-carbonitrile Formula: C17H14N6O2 MolecularWeight: 334.33206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C2=NC(=NC=C2)NC3=CC(=CC=C3)[N+](=O)[O-])C)C#N

Isomeric SMILES

CC1=C(NC(=C1C2=NC(=NC=C2)NC3=CC(=CC=C3)[N+](=O)[O-])C)C#N

InChI

InChI=1S/C17H14N6O2/c1-10-15(9-18)20-11(2)16(10)14-6-7-19-17(22-14)21-12-4-3-5-13(8-12)23(24)25/h3-8,20H,1-2H3,(H,19,21,22)