N-(2-cyano-4-nitro-phenyl)-4-[3-(4-methoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-4-[3-(4-methoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-4-[3-(4-methoxyphenyl)-6-oxo-pyridazin-1-yl]butanamide CAS Name: N-(2-cyano-4-nitrophenyl)-4-[3-(4-methoxyphenyl)-6-oxo-1-pyridazinyl]butanamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-4-[6-keto-3-(4-methoxyphenyl)pyridazin-1-yl]butyramide Formula: C22H19N5O5 MolecularWeight: 433.41676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C22H19N5O5/c1-32-18-7-4-15(5-8-18)20-10-11-22(29)26(25-20)12-2-3-21(28)24-19-9-6-17(27(30)31)13-16(19)14-23/h4-11,13H,2-3,12H2,1H3,(H,24,28)