N-(4-butylphenyl)-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-(4-butylphenyl)-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-(4-butylphenyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-(4-butylphenyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-(4-butylphenyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-(4-butylphenyl)-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetamide Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c1-2-3-4-14-5-7-15(8-6-14)21-19(24)12-22-17-11-16(23(26)27)9-10-18(17)28-13-20(22)25/h5-11H,2-4,12-13H2,1H3,(H,21,24)