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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C22H16N4O7/c1-11-3-6-20-16(7-11)24-22(33-20)15-10-14(4-5-19(15)27)23-21(28)13-8-17(25(29)30)12(2)18(9-13)26(31)32/h3-10,24H,1-2H3,(H,23,28)/b22-15+