8-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: 8-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: 8-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)iminomethyl]-4H-1,3-benzodioxin-6-carboxylate IUPAC Name: 8-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)iminomethyl]-4H-1,3-benzodioxin-6-carboxylate Formula: C21H18N3O5- MolecularWeight: 392.38472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C4C(=CC(=C3)C(=O)[O-])COCO4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C4C(=CC(=C3)C(=O)[O-])COCO4

InChI

InChI=1S/C21H19N3O5/c1-13-18(20(25)24(23(13)2)17-6-4-3-5-7-17)22-10-15-8-14(21(26)27)9-16-11-28-12-29-19(15)16/h3-10H,11-12H2,1-2H3,(H,26,27)/p-1