ethyl 4-[(2Z)-2-(5-oxidanylidene-3-propyl-1-pyridin-3-ylcarbonyl-pyrazol-4-ylidene)hydrazinyl]benzoate

Systemtic Name: ethyl 4-[(2Z)-2-(5-oxidanylidene-3-propyl-1-pyridin-3-ylcarbonyl-pyrazol-4-ylidene)hydrazinyl]benzoate Openeye Name: ethyl 4-[(2Z)-2-[5-oxo-3-propyl-1-(pyridine-3-carbonyl)pyrazol-4-ylidene]hydrazino]benzoate CAS Name: 4-[(2Z)-2-[5-oxo-1-[oxo(3-pyridinyl)methyl]-3-propyl-4-pyrazolylidene]hydrazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2Z)-2-[5-oxo-3-propyl-1-(pyridine-3-carbonyl)pyrazol-4-ylidene]hydrazinyl]benzoate Traditional Name: 4-[(N'Z)-N'-(5-keto-1-nicotinoyl-3-propyl-2-pyrazolin-4-ylidene)hydrazino]benzoic acid ethyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=NNC2=CC=C(C=C2)C(=O)OCC)C(=O)C3=CN=CC=C3

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=N\NC2=CC=C(C=C2)C(=O)OCC)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H21N5O4/c1-3-6-17-18(20(28)26(25-17)19(27)15-7-5-12-22-13-15)24-23-16-10-8-14(9-11-16)21(29)30-4-2/h5,7-13,23H,3-4,6H2,1-2H3/b24-18-