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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O5/c1-32-18-5-2-4-15(13-18)20-9-10-22(29)26(25-20)11-3-6-21(28)24-19-8-7-17(27(30)31)12-16(19)14-23/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,24,28)