(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl) N-(3-bromophenyl)-4-nitro-benzenecarboximidate

Systemtic Name: (7-oxidanylidenecyclohepta-1,3,5-trien-1-yl) N-(3-bromophenyl)-4-nitro-benzenecarboximidate Openeye Name: (7-oxocyclohepta-1,3,5-trien-1-yl) N-(3-bromophenyl)-4-nitro-benzenecarboximidate CAS Name: N-(3-bromophenyl)-4-nitrobenzenecarboximidic acid (7-oxo-1-cyclohepta-1,3,5-trienyl) ester IUPAC Name: (7-oxocyclohepta-1,3,5-trien-1-yl) N-(3-bromophenyl)-4-nitrobenzenecarboximidate Traditional Name: N-(3-bromophenyl)-4-nitro-benzenecarboximidic acid (7-ketocyclohepta-1,3,5-trien-1-yl) ester Formula: C20H13BrN2O4 MolecularWeight: 425.23222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=O)C=C1)OC(=NC2=CC(=CC=C2)Br)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=O)C=C1)OC(=NC2=CC(=CC=C2)Br)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H13BrN2O4/c21-15-5-4-6-16(13-15)22-20(14-9-11-17(12-10-14)23(25)26)27-19-8-3-1-2-7-18(19)24/h1-13H