(6E)-3-methoxy-2-methyl-6-[3-methyl-4-(1-phenylpyrazol-4-yl)-2H-1,2-oxazol-5-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-3-methoxy-2-methyl-6-[3-methyl-4-(1-phenylpyrazol-4-yl)-2H-1,2-oxazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-3-methoxy-2-methyl-6-[3-methyl-4-(1-phenylpyrazol-4-yl)-2H-isoxazol-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-3-methoxy-2-methyl-6-[3-methyl-4-(1-phenyl-4-pyrazolyl)-2H-isoxazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-3-methoxy-2-methyl-6-[3-methyl-4-(1-phenylpyrazol-4-yl)-2H-1,2-oxazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-3-methoxy-2-methyl-6-[3-methyl-4-(1-phenylpyrazol-4-yl)-3-isoxazolin-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C2C(=C(NO2)C)C3=CN(N=C3)C4=CC=CC=C4)C1=O)OC

Isomeric SMILES

CC1=C(C=C/C(=C\2/C(=C(NO2)C)C3=CN(N=C3)C4=CC=CC=C4)/C1=O)OC

InChI

InChI=1S/C21H19N3O3/c1-13-18(26-3)10-9-17(20(13)25)21-19(14(2)23-27-21)15-11-22-24(12-15)16-7-5-4-6-8-16/h4-12,23H,1-3H3/b21-17+