N-[3-(5-chloranyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[3-(5-chloranyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[3-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[3-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[3-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[3-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]-2-(4-nitrophenoxy)acetamide Formula: C22H16ClN3O6 MolecularWeight: 453.83194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C2NC3=C(O2)C=CC(=C3)Cl)C1=O)NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C2NC3=C(O2)C=CC(=C3)Cl)C1=O)NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16ClN3O6/c1-12-8-14(24-20(27)11-31-16-5-3-15(4-6-16)26(29)30)10-17(21(12)28)22-25-18-9-13(23)2-7-19(18)32-22/h2-10,25H,11H2,1H3,(H,24,27)