2-[6-[(3-cyanophenyl)amino]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-yl]ethanamide

Systemtic Name: 2-[6-[(3-cyanophenyl)amino]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-yl]ethanamide Openeye Name: 2-[6-(3-cyanoanilino)-5-nitro-4-oxo-1H-pyrimidin-2-yl]acetamide CAS Name: 2-[6-(3-cyanoanilino)-5-nitro-4-oxo-1H-pyrimidin-2-yl]acetamide IUPAC Name: 2-[6-(3-cyanoanilino)-5-nitro-4-oxo-1H-pyrimidin-2-yl]acetamide Traditional Name: 2-[6-(3-cyanoanilino)-4-keto-5-nitro-1H-pyrimidin-2-yl]acetamide Formula: C13H10N6O4 MolecularWeight: 314.2563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N6O4/c14-6-7-2-1-3-8(4-7)16-12-11(19(22)23)13(21)18-10(17-12)5-9(15)20/h1-4H,5H2,(H2,15,20)(H2,16,17,18,21)