N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)-N-[2-(2-methoxy-5-methyl-phenyl)ethyl]acetamide Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6/c1-13-3-5-17(28-2)14(9-13)7-8-21-19(24)11-22-16-10-15(23(26)27)4-6-18(16)29-12-20(22)25/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,21,24)