(1Z,4E)-1-(tert-butylamino)-1-(4-nitrophenyl)-5-oxidanyl-5-phenoxy-penta-1,4-dien-3-one

Systemtic Name: (1Z,4E)-1-(tert-butylamino)-1-(4-nitrophenyl)-5-oxidanyl-5-phenoxy-penta-1,4-dien-3-one Openeye Name: (1Z,4E)-1-(tert-butylamino)-5-hydroxy-1-(4-nitrophenyl)-5-phenoxy-penta-1,4-dien-3-one CAS Name: (1Z,4E)-1-(tert-butylamino)-5-hydroxy-1-(4-nitrophenyl)-5-phenoxy-3-penta-1,4-dienone IUPAC Name: (1Z,4E)-1-(tert-butylamino)-5-hydroxy-1-(4-nitrophenyl)-5-phenoxypenta-1,4-dien-3-one Traditional Name: (1Z,4E)-1-(tert-butylamino)-5-hydroxy-1-(4-nitrophenyl)-5-phenoxy-penta-1,4-dien-3-one Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=CC(=O)C=C(O)OC1=CC=CC=C1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)N/C(=C\C(=O)/C=C(\O)/OC1=CC=CC=C1)/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5/c1-21(2,3)22-19(15-9-11-16(12-10-15)23(26)27)13-17(24)14-20(25)28-18-7-5-4-6-8-18/h4-14,22,25H,1-3H3/b19-13-,20-14+