5-[2-chloranyl-3-[(3,4-dimethyl-5-oxidanylidene-1,2,4-triazol-1-yl)methyl]phenyl]-3-oxidanylidene-pentanal

Systemtic Name: 5-[2-chloranyl-3-[(3,4-dimethyl-5-oxidanylidene-1,2,4-triazol-1-yl)methyl]phenyl]-3-oxidanylidene-pentanal Openeye Name: 5-[2-chloro-3-[(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]-3-oxo-pentanal CAS Name: 5-[2-chloro-3-[(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]-3-oxopentanal IUPAC Name: 5-[2-chloro-3-[(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]-3-oxopentanal Traditional Name: 5-[2-chloro-3-[(5-keto-3,4-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-keto-valeraldehyde Formula: C16H18ClN3O3 MolecularWeight: 335.78542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C)CC2=CC=CC(=C2Cl)CCC(=O)CC=O

Isomeric SMILES

CC1=NN(C(=O)N1C)CC2=CC=CC(=C2Cl)CCC(=O)CC=O

InChI

InChI=1S/C16H18ClN3O3/c1-11-18-20(16(23)19(11)2)10-13-5-3-4-12(15(13)17)6-7-14(22)8-9-21/h3-5,9H,6-8,10H2,1-2H3