N-(3-chloranyl-2,6-diethyl-phenyl)-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-(3-chloranyl-2,6-diethyl-phenyl)-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-(3-chloro-2,6-diethyl-phenyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-(3-chloro-2,6-diethylphenyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-(3-chloro-2,6-diethylphenyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-(3-chloro-2,6-diethyl-phenyl)-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetamide Formula: C20H20ClN3O5 MolecularWeight: 417.8429

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN3O5/c1-3-12-5-7-15(21)14(4-2)20(12)22-18(25)10-23-16-9-13(24(27)28)6-8-17(16)29-11-19(23)26/h5-9H,3-4,10-11H2,1-2H3,(H,22,25)