(6E)-4-nitro-6-(5-nonyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-4-nitro-6-(5-nonyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,4-dien-1-one Openeye Name: (6E)-4-nitro-6-(5-nonyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,4-dien-1-one CAS Name: (6E)-4-nitro-6-(5-nonyl-3H-1,3-benzoxazol-2-ylidene)-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-4-nitro-6-(5-nonyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: (6E)-4-nitro-6-(5-nonyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,4-dien-1-one Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)[N+](=O)[O-])N2

Isomeric SMILES

CCCCCCCCCC1=CC2=C(C=C1)O/C(=C/3\C=C(C=CC3=O)[N+](=O)[O-])/N2

InChI

InChI=1S/C22H26N2O4/c1-2-3-4-5-6-7-8-9-16-10-13-21-19(14-16)23-22(28-21)18-15-17(24(26)27)11-12-20(18)25/h10-15,23H,2-9H2,1H3/b22-18+