2-bromanyl-N-[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-5-nitro-benzamide

Systemtic Name: 2-bromanyl-N-[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-5-nitro-benzamide Openeye Name: 2-bromo-N-[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-5-nitro-benzamide CAS Name: 2-bromo-N-[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-5-nitrobenzamide IUPAC Name: 2-bromo-N-[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-5-nitrobenzamide Traditional Name: 2-bromo-N-[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]-5-nitro-benzamide Formula: C22H16BrN3O5 MolecularWeight: 482.28354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Br)N2

Isomeric SMILES

CCC1=CC2=C(C=C1)O/C(=C/3\C=C(C=CC3=O)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Br)/N2

InChI

InChI=1S/C22H16BrN3O5/c1-2-12-3-8-20-18(9-12)25-22(31-20)16-10-13(4-7-19(16)27)24-21(28)15-11-14(26(29)30)5-6-17(15)23/h3-11,25H,2H2,1H3,(H,24,28)/b22-16+