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

Systemtic Name: N-[3-(2,4-dimethylphenyl)propyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[3-(2,4-dimethylphenyl)propyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[3-(2,4-dimethylphenyl)propyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[3-(2,4-dimethylphenyl)propyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[3-(2,4-dimethylphenyl)propyl]-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetamide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-14-5-6-16(15(2)10-14)4-3-9-22-20(25)12-23-18-11-17(24(27)28)7-8-19(18)29-13-21(23)26/h5-8,10-11H,3-4,9,12-13H2,1-2H3,(H,22,25)