[(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] 6-bromanyl-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: [(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] 6-bromanyl-2-oxidanylidene-chromene-3-carboxylate Openeye Name: [(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] 6-bromo-2-oxo-chromene-3-carboxylate CAS Name: 6-bromo-2-oxo-1-benzopyran-3-carboxylic 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] 6-bromo-2-oxochromene-3-carboxylate Traditional Name: 6-bromo-2-keto-chromene-3-carboxylic acid [(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] ester Formula: C26H22BrN3O4 MolecularWeight: 520.37458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NOC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O)CC(C2)(C)C)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1/C(=N/OC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O)/CC(C2)(C)C)C5=CC=CC=C5

InChI

InChI=1S/C26H22BrN3O4/c1-15-23-20(13-26(2,3)14-21(23)30(28-15)18-7-5-4-6-8-18)29-34-25(32)19-12-16-11-17(27)9-10-22(16)33-24(19)31/h4-12H,13-14H2,1-3H3/b29-20+