tert-butyl 3-[(7-azanyl-5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)amino]propanoate

Systemtic Name: tert-butyl 3-[(7-azanyl-5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)amino]propanoate Openeye Name: tert-butyl 3-[(7-amino-5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]propanoate CAS Name: 3-[(7-amino-5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(7-amino-5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]propanoate Traditional Name: 3-[(7-amino-4-keto-5-methyl-3,1-benzoxazin-2-yl)amino]propionic acid tert-butyl ester Formula: C16H21N3O4 MolecularWeight: 319.35564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=O)OC(=N2)NCCC(=O)OC(C)(C)C)N

Isomeric SMILES

CC1=CC(=CC2=C1C(=O)OC(=N2)NCCC(=O)OC(C)(C)C)N

InChI

InChI=1S/C16H21N3O4/c1-9-7-10(17)8-11-13(9)14(21)22-15(19-11)18-6-5-12(20)23-16(2,3)4/h7-8H,5-6,17H2,1-4H3,(H,18,19)