[(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] 2-chloranylbenzoate

Systemtic Name: [(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] 2-chloranylbenzoate Openeye Name: [(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] ester IUPAC Name: [(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] ester Formula: C23H22ClN3O2 MolecularWeight: 407.89268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NOC(=O)C3=CC=CC=C3Cl)CC(C2)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1/C(=N/OC(=O)C3=CC=CC=C3Cl)/CC(C2)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C23H22ClN3O2/c1-15-21-19(26-29-22(28)17-11-7-8-12-18(17)24)13-23(2,3)14-20(21)27(25-15)16-9-5-4-6-10-16/h4-12H,13-14H2,1-3H3/b26-19+