N-[(4E)-4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2,4-dinitro-benzamide

Systemtic Name: N-[(4E)-4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2,4-dinitro-benzamide Openeye Name: N-[(4E)-4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]-2,4-dinitro-benzamide CAS Name: N-[(4E)-4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]-2,4-dinitrobenzamide IUPAC Name: N-[(4E)-4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]-2,4-dinitrobenzamide Traditional Name: N-[(4E)-4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]-2,4-dinitro-benzamide Formula: C22H16N4O7 MolecularWeight: 448.38504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)NC(=C3C=CC(=CC3=O)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])O2)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N/C(=C\3/C=CC(=CC3=O)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])/O2)C

InChI

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