(2,4,6-trimethyl-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl) N-(3-bromophenyl)-4-nitro-benzenecarboximidate

Systemtic Name: (2,4,6-trimethyl-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl) N-(3-bromophenyl)-4-nitro-benzenecarboximidate Openeye Name: (2,4,6-trimethyl-7-oxo-cyclohepta-1,3,5-trien-1-yl) N-(3-bromophenyl)-4-nitro-benzenecarboximidate CAS Name: N-(3-bromophenyl)-4-nitrobenzenecarboximidic acid (2,4,6-trimethyl-7-oxo-1-cyclohepta-1,3,5-trienyl) ester IUPAC Name: (2,4,6-trimethyl-7-oxocyclohepta-1,3,5-trien-1-yl) N-(3-bromophenyl)-4-nitrobenzenecarboximidate Traditional Name: N-(3-bromophenyl)-4-nitro-benzenecarboximidic acid (7-keto-2,4,6-trimethyl-cyclohepta-1,3,5-trien-1-yl) ester Formula: C23H19BrN2O4 MolecularWeight: 467.31196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)C(=C1)C)OC(=NC2=CC(=CC=C2)Br)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=O)C(=C1)C)OC(=NC2=CC(=CC=C2)Br)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C23H19BrN2O4/c1-14-11-15(2)21(27)22(16(3)12-14)30-23(25-19-6-4-5-18(24)13-19)17-7-9-20(10-8-17)26(28)29/h4-13H,1-3H3