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

Systemtic Name: N-[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-4-methyl-3,5-dinitro-benzamide Openeye Name: N-[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-4-methyl-3,5-dinitro-benzamide CAS Name: N-[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-4-methyl-3,5-dinitrobenzamide Traditional Name: N-[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]-4-methyl-3,5-dinitro-benzamide Formula: C23H18N4O7 MolecularWeight: 462.41162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N4O7/c1-3-13-4-7-21-17(8-13)25-23(34-21)16-11-15(5-6-20(16)28)24-22(29)14-9-18(26(30)31)12(2)19(10-14)27(32)33/h4-11,25H,3H2,1-2H3,(H,24,29)/b23-16+