N-[3-(3-methylphenoxy)propyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[3-(3-methylphenoxy)propyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[3-(3-methylphenoxy)propyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[3-(3-methylphenoxy)propyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[3-(3-methylphenoxy)propyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)-N-[3-(3-methylphenoxy)propyl]acetamide Formula: C20H21N3O6 MolecularWeight: 399.39724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCNC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCCNC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-14-4-2-5-16(10-14)28-9-3-8-21-19(24)12-22-17-11-15(23(26)27)6-7-18(17)29-13-20(22)25/h2,4-7,10-11H,3,8-9,12-13H2,1H3,(H,21,24)