N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(5-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(5-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide CAS Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide Traditional Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(2-keto-5-nitro-1,3-benzoxazol-3-yl)acetamide Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CCC#N)C(=O)CN2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCC#N)C(=O)CN2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=O)C

InChI

InChI=1S/C20H18N4O5/c1-13-4-5-15(10-14(13)2)22(9-3-8-21)19(25)12-23-17-11-16(24(27)28)6-7-18(17)29-20(23)26/h4-7,10-11H,3,9,12H2,1-2H3