(3-chloranyl-2,5-diethyl-6-oxidanylidene-pyrazin-1-yl) 4-methylbenzoate

Systemtic Name: (3-chloranyl-2,5-diethyl-6-oxidanylidene-pyrazin-1-yl) 4-methylbenzoate Openeye Name: (3-chloro-2,5-diethyl-6-oxo-pyrazin-1-yl) 4-methylbenzoate CAS Name: 4-methylbenzoic acid (3-chloro-2,5-diethyl-6-oxo-1-pyrazinyl) ester IUPAC Name: (3-chloro-2,5-diethyl-6-oxopyrazin-1-yl) 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (3-chloro-2,5-diethyl-6-keto-pyrazin-1-yl) ester Formula: C16H17ClN2O3 MolecularWeight: 320.77078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(C(=O)N1OC(=O)C2=CC=C(C=C2)C)CC)Cl

Isomeric SMILES

CCC1=C(N=C(C(=O)N1OC(=O)C2=CC=C(C=C2)C)CC)Cl

InChI

InChI=1S/C16H17ClN2O3/c1-4-12-15(20)19(13(5-2)14(17)18-12)22-16(21)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3