N-[bis(azanyl)methylidene]-8-chloranyl-3-oxidanylidene-4-propan-2-yl-1,4-benzoxazine-6-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-8-chloranyl-3-oxidanylidene-4-propan-2-yl-1,4-benzoxazine-6-carboxamide Openeye Name: 8-chloro-N-(diaminomethylene)-4-isopropyl-3-oxo-1,4-benzoxazine-6-carboxamide CAS Name: 8-chloro-N-(diaminomethylidene)-3-oxo-4-propan-2-yl-1,4-benzoxazine-6-carboxamide IUPAC Name: 8-chloro-N-(diaminomethylidene)-3-oxo-4-propan-2-yl-1,4-benzoxazine-6-carboxamide Traditional Name: 8-chloro-N-(diaminomethylene)-4-isopropyl-3-keto-1,4-benzoxazine-6-carboxamide Formula: C13H15ClN4O3 MolecularWeight: 310.7362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)COC2=C1C=C(C=C2Cl)C(=O)N=C(N)N

Isomeric SMILES

CC(C)N1C(=O)COC2=C1C=C(C=C2Cl)C(=O)N=C(N)N

InChI

InChI=1S/C13H15ClN4O3/c1-6(2)18-9-4-7(12(20)17-13(15)16)3-8(14)11(9)21-5-10(18)19/h3-4,6H,5H2,1-2H3,(H4,15,16,17,20)