ethyl 5-[(2-oxidanylidenechromen-3-yl)carbonylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(2-oxidanylidenechromen-3-yl)carbonylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(2-oxochromene-3-carbonyl)amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-oxochromene-3-carbonyl)amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[(2-ketochromene-3-carbonyl)amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C22H17N3O5 MolecularWeight: 403.38748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H17N3O5/c1-2-29-21(27)17-13-23-25(15-9-4-3-5-10-15)19(17)24-20(26)16-12-14-8-6-7-11-18(14)30-22(16)28/h3-13H,2H2,1H3,(H,24,26)