2,5-bis(chloranyl)-4,4-dimethoxy-5-prop-2-enyl-3-(1H-1,2,4-triazol-5-ylmethylamino)cyclopent-2-en-1-one

Systemtic Name: 2,5-bis(chloranyl)-4,4-dimethoxy-5-prop-2-enyl-3-(1H-1,2,4-triazol-5-ylmethylamino)cyclopent-2-en-1-one Openeye Name: 5-allyl-2,5-dichloro-4,4-dimethoxy-3-(1H-1,2,4-triazol-5-ylmethylamino)cyclopent-2-en-1-one CAS Name: 2,5-dichloro-4,4-dimethoxy-5-prop-2-enyl-3-(1H-1,2,4-triazol-5-ylmethylamino)-1-cyclopent-2-enone IUPAC Name: 2,5-dichloro-4,4-dimethoxy-5-prop-2-enyl-3-(1H-1,2,4-triazol-5-ylmethylamino)cyclopent-2-en-1-one Traditional Name: 5-allyl-2,5-dichloro-4,4-dimethoxy-3-(1H-1,2,4-triazol-5-ylmethylamino)cyclopent-2-en-1-one Formula: C13H16Cl2N4O3 MolecularWeight: 347.19714

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C(=C(C(=O)C1(CC=C)Cl)Cl)NCC2=NC=NN2)OC

Isomeric SMILES

COC1(C(=C(C(=O)C1(CC=C)Cl)Cl)NCC2=NC=NN2)OC

InChI

InChI=1S/C13H16Cl2N4O3/c1-4-5-12(15)11(20)9(14)10(13(12,21-2)22-3)16-6-8-17-7-18-19-8/h4,7,16H,1,5-6H2,2-3H3,(H,17,18,19)