N-[4-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]phenyl]-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[4-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]phenyl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-keto-1H-pyrimidin-6-yl]phenyl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C21H13ClN8O4 MolecularWeight: 476.83212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=O)N=C(N2)NC3=CC=C(C=C3)Cl)C#N)NC(=O)C4=CC(=NN4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=O)N=C(N2)NC3=CC=C(C=C3)Cl)C#N)NC(=O)C4=CC(=NN4)[N+](=O)[O-]

InChI

InChI=1S/C21H13ClN8O4/c22-12-3-7-14(8-4-12)25-21-26-18(15(10-23)19(31)27-21)11-1-5-13(6-2-11)24-20(32)16-9-17(29-28-16)30(33)34/h1-9H,(H,24,32)(H,28,29)(H2,25,26,27,31)