ethyl 4-[(E)-indol-3-ylidenemethyl]-5-oxidanylidene-1,2-dihydropyrazole-3-carboxylate

Systemtic Name: ethyl 4-[(E)-indol-3-ylidenemethyl]-5-oxidanylidene-1,2-dihydropyrazole-3-carboxylate Openeye Name: ethyl 4-[(E)-indol-3-ylidenemethyl]-5-oxo-1,2-dihydropyrazole-3-carboxylate CAS Name: 4-[(E)-3-indolylidenemethyl]-5-oxo-1,2-dihydropyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-indol-3-ylidenemethyl]-5-oxo-1,2-dihydropyrazole-3-carboxylate Traditional Name: 4-[(E)-indol-3-ylidenemethyl]-5-keto-3-pyrazoline-3-carboxylic acid ethyl ester Formula: C15H13N3O3 MolecularWeight: 283.28202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)NN1)C=C2C=NC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C(C(=O)NN1)/C=C\2/C=NC3=CC=CC=C32

InChI

InChI=1S/C15H13N3O3/c1-2-21-15(20)13-11(14(19)18-17-13)7-9-8-16-12-6-4-3-5-10(9)12/h3-8H,2H2,1H3,(H2,17,18,19)/b9-7-