3-[(3-chloranyl-2-methyl-phenyl)amino]-1,5,6,7-tetrahydroindazol-4-one

Systemtic Name: 3-[(3-chloranyl-2-methyl-phenyl)amino]-1,5,6,7-tetrahydroindazol-4-one Openeye Name: 3-(3-chloro-2-methyl-anilino)-1,5,6,7-tetrahydroindazol-4-one CAS Name: 3-(3-chloro-2-methylanilino)-1,5,6,7-tetrahydroindazol-4-one IUPAC Name: 3-(3-chloro-2-methylanilino)-1,5,6,7-tetrahydroindazol-4-one Traditional Name: 3-(3-chloro-2-methyl-anilino)-1,5,6,7-tetrahydroindazol-4-one Formula: C14H14ClN3O MolecularWeight: 275.73346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=NNC3=C2C(=O)CCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=NNC3=C2C(=O)CCC3

InChI

InChI=1S/C14H14ClN3O/c1-8-9(15)4-2-5-10(8)16-14-13-11(17-18-14)6-3-7-12(13)19/h2,4-5H,3,6-7H2,1H3,(H2,16,17,18)