[2-[4-(3-methylbutanoylamino)phenyl]-4-oxidanylidene-3,1-benzoxazin-6-yl] ethanoate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-4-oxidanylidene-3,1-benzoxazin-6-yl] ethanoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-4-oxo-3,1-benzoxazin-6-yl] acetate CAS Name: acetic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-4-oxo-3,1-benzoxazin-6-yl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-4-oxo-3,1-benzoxazin-6-yl] acetate Traditional Name: acetic acid [2-[4-(isovalerylamino)phenyl]-4-keto-3,1-benzoxazin-6-yl] ester Formula: C21H20N2O5 MolecularWeight: 380.3939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)OC(=O)C)C(=O)O2

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)OC(=O)C)C(=O)O2

InChI

InChI=1S/C21H20N2O5/c1-12(2)10-19(25)22-15-6-4-14(5-7-15)20-23-18-9-8-16(27-13(3)24)11-17(18)21(26)28-20/h4-9,11-12H,10H2,1-3H3,(H,22,25)