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

Systemtic Name: N-[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2,4-dinitro-benzamide Openeye Name: N-[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-2,4-dinitro-benzamide CAS Name: N-[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-2,4-dinitrobenzamide IUPAC Name: N-[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-2,4-dinitrobenzamide Traditional Name: N-[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]-2,4-dinitro-benzamide Formula: C22H16N4O7 MolecularWeight: 448.38504

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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=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])N2

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O7/c1-2-12-3-8-20-17(9-12)24-22(33-20)16-10-13(4-7-19(16)27)23-21(28)15-6-5-14(25(29)30)11-18(15)26(31)32/h3-11,24H,2H2,1H3,(H,23,28)/b22-16+