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

Systemtic Name: N-[(3E)-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2,4-dinitro-benzamide Openeye Name: N-[(3E)-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-2,4-dinitro-benzamide CAS Name: N-[(3E)-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-2,4-dinitrobenzamide IUPAC Name: N-[(3E)-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-2,4-dinitrobenzamide Traditional Name: N-[(3E)-4-keto-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]-2,4-dinitro-benzamide Formula: C21H14N4O7 MolecularWeight: 434.35846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C21H14N4O7/c1-11-2-7-19-16(8-11)23-21(32-19)15-9-12(3-6-18(15)26)22-20(27)14-5-4-13(24(28)29)10-17(14)25(30)31/h2-10,23H,1H3,(H,22,27)/b21-15+