2-(3-azanyl-5-azanylidene-4H-1,2-oxazol-4-yl)-1,4-bis(4-methylphenyl)butane-1,4-dione

Systemtic Name: 2-(3-azanyl-5-azanylidene-4H-1,2-oxazol-4-yl)-1,4-bis(4-methylphenyl)butane-1,4-dione Openeye Name: 2-(3-amino-5-imino-4H-isoxazol-4-yl)-1,4-bis(p-tolyl)butane-1,4-dione CAS Name: 2-(3-amino-5-imino-4H-isoxazol-4-yl)-1,4-bis(4-methylphenyl)butane-1,4-dione IUPAC Name: 2-(3-amino-5-imino-4H-1,2-oxazol-4-yl)-1,4-bis(4-methylphenyl)butane-1,4-dione Traditional Name: 2-(3-amino-5-imino-2-isoxazolin-4-yl)-1,4-bis(p-tolyl)butane-1,4-dione Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C2C(=NOC2=N)N)C(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC(C2C(=NOC2=N)N)C(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H21N3O3/c1-12-3-7-14(8-4-12)17(25)11-16(18-20(22)24-27-21(18)23)19(26)15-9-5-13(2)6-10-15/h3-10,16,18,23H,11H2,1-2H3,(H2,22,24)