2-[4-chloranyl-6-[(3-cyanophenyl)amino]-5-nitro-pyrimidin-2-yl]ethanamide

Systemtic Name: 2-[4-chloranyl-6-[(3-cyanophenyl)amino]-5-nitro-pyrimidin-2-yl]ethanamide Openeye Name: 2-[4-chloro-6-(3-cyanoanilino)-5-nitro-pyrimidin-2-yl]acetamide CAS Name: 2-[4-chloro-6-(3-cyanoanilino)-5-nitro-2-pyrimidinyl]acetamide IUPAC Name: 2-[4-chloro-6-(3-cyanoanilino)-5-nitropyrimidin-2-yl]acetamide Traditional Name: 2-[4-chloro-6-(3-cyanoanilino)-5-nitro-pyrimidin-2-yl]acetamide Formula: C13H9ClN6O3 MolecularWeight: 332.70196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClN6O3/c14-12-11(20(22)23)13(19-10(18-12)5-9(16)21)17-8-3-1-2-7(4-8)6-15/h1-4H,5H2,(H2,16,21)(H,17,18,19)