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

Systemtic Name: [(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] furan-2-carboxylate Openeye Name: [(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] furan-2-carboxylate CAS Name: 2-furancarboxylic 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] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NOC(=O)C3=CC=CO3)CC(C2)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1/C(=N/OC(=O)C3=CC=CO3)/CC(C2)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3/c1-14-19-16(23-27-20(25)18-10-7-11-26-18)12-21(2,3)13-17(19)24(22-14)15-8-5-4-6-9-15/h4-11H,12-13H2,1-3H3/b23-16+