3-azanyl-4-[(3-oxidanylidene-5-phenyl-1,2-oxazol-4-yl)methylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-azanyl-4-[(3-oxidanylidene-5-phenyl-1,2-oxazol-4-yl)methylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[(3-oxo-5-phenyl-isoxazol-4-yl)methylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[(3-oxo-5-phenyl-4-isoxazolyl)methylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[(3-oxo-5-phenyl-1,2-oxazol-4-yl)methylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[(3-keto-5-phenyl-4-isoxazolin-4-yl)methylamino]cyclobut-3-ene-1,2-quinone Formula: C14H11N3O4 MolecularWeight: 285.25484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)NO2)CNC3=C(C(=O)C3=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)NO2)CNC3=C(C(=O)C3=O)N

InChI

InChI=1S/C14H11N3O4/c15-9-10(12(19)11(9)18)16-6-8-13(21-17-14(8)20)7-4-2-1-3-5-7/h1-5,16H,6,15H2,(H,17,20)