ethyl 4-oxidanylidene-4-phenyl-2-[(4-phenyl-1H-1,2,4-triazol-5-ylidene)methyl]but-2-enoate

Systemtic Name: ethyl 4-oxidanylidene-4-phenyl-2-[(4-phenyl-1H-1,2,4-triazol-5-ylidene)methyl]but-2-enoate Openeye Name: ethyl 4-oxo-4-phenyl-2-[(4-phenyl-1H-1,2,4-triazol-5-ylidene)methyl]but-2-enoate CAS Name: 4-oxo-4-phenyl-2-[(4-phenyl-1H-1,2,4-triazol-5-ylidene)methyl]-2-butenoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-phenyl-2-[(4-phenyl-1H-1,2,4-triazol-5-ylidene)methyl]but-2-enoate Traditional Name: 4-keto-4-phenyl-2-[(4-phenyl-1H-1,2,4-triazol-5-ylidene)methyl]but-2-enoic acid ethyl ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC(=O)C1=CC=CC=C1)C=C2NN=CN2C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(=CC(=O)C1=CC=CC=C1)C=C2NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O3/c1-2-27-21(26)17(13-19(25)16-9-5-3-6-10-16)14-20-23-22-15-24(20)18-11-7-4-8-12-18/h3-15,23H,2H2,1H3