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

Systemtic Name: [(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] 4-bromanylbenzoate Openeye Name: [(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] 4-bromobenzoate CAS Name: 4-bromobenzoic 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] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] ester Formula: C23H22BrN3O2 MolecularWeight: 452.34368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrN3O2/c1-15-21-19(26-29-22(28)16-9-11-17(24)12-10-16)13-23(2,3)14-20(21)27(25-15)18-7-5-4-6-8-18/h4-12H,13-14H2,1-3H3/b26-19+